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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2050 | 65-49-6 |
| Dose | Unit | Route |
|---|---|---|
| 12 | g | O |
| 14 | g | O |
| 14 | g | P |
| 15 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| S (Water solubility) | 1.69 mg/mL | Bocci G, Oprea TI, Benet LZ |
| EoM (Fraction excreted unchanged in urine) | 2 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 1306.01 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.241 | Moderate | 0.69 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.738 | Moderate | 0.69 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 2.512 | 10^-6 cm/s | Moderate | 0.69 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.746 | uL/min/10^6 cells | Moderate | 0.69 |
| dppb | Dog plasma protein binding (% unbound) | 15.520 | % | Moderate | 0.69 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 38.360 | % | Moderate | 0.69 |
| herg | hERG pIC50 | 4.557 | pIC50 | Moderate | 0.69 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.384 | uL/min/10^6 cells | Moderate | 0.69 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.548 | uL/min/mg protein | Moderate | 0.69 |
| hppb | Human plasma protein binding (% unbound) | 15.250 | % | Moderate | 0.69 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MTOR,NTRK1,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM1,PIM2,PLK1,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 77 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AURKB,AXL,BRAF,CAMK2B,CAMK2D,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,IKBKB,JAK2,MAP2K3,MAP2K6,MAP3K14,MAPK12,MAPK7,MAPK8,MARK4,PIK3CB,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ULK2 | 35 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.673 | Moderate | 0.69 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 4.159 | Moderate | 0.69 | |
| mppb | Mouse plasma protein binding (% unbound) | 37.920 | Moderate | 0.69 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.284 | Moderate | 0.69 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.69 | |
| pppb | Pig plasma protein binding (% unbound) | 27.270 | % | Moderate | 0.69 |
| rh-clint | Rat hepatocyte intrinsic clearance | 6.855 | uL/min/10^6 cells | Moderate | 0.69 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 79.510 | % | Moderate | 0.69 |
| rppb | Rat plasma protein binding (% unbound) | 18.150 | % | Moderate | 0.69 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 866.962 | uM | Moderate | 0.69 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| March 8, 1950 | FDA | CONSOLIDATED MIDLAND |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Colitis ulcerative | 395.21 | 39.55 | 272 | 38534 | 59994 | 90529647 |
| Retinitis | 326.34 | 39.55 | 204 | 38602 | 38254 | 90551387 |
| Frequent bowel movements | 306.64 | 39.55 | 228 | 38578 | 56707 | 90532934 |
| Porphyria acute | 300.47 | 39.55 | 149 | 38657 | 17826 | 90571815 |
| Dislocation of vertebra | 287.78 | 39.55 | 218 | 38588 | 55750 | 90533891 |
| Lupus-like syndrome | 281.99 | 39.55 | 204 | 38602 | 48642 | 90540999 |
| Wound infection | 271.05 | 39.55 | 278 | 38528 | 106124 | 90483517 |
| Adjustment disorder with depressed mood | 261.17 | 39.55 | 207 | 38599 | 56546 | 90533095 |
| Lupus vulgaris | 250.59 | 39.55 | 184 | 38622 | 44875 | 90544766 |
| Joint dislocation | 229.93 | 39.55 | 174 | 38632 | 44408 | 90545233 |
| Laryngitis | 222.61 | 39.55 | 180 | 38626 | 50573 | 90539068 |
| Rectal haemorrhage | 210.32 | 39.55 | 216 | 38590 | 82528 | 90507113 |
| Bone erosion | 201.32 | 39.55 | 173 | 38633 | 52848 | 90536793 |
| Walking aid user | 199.69 | 39.55 | 146 | 38660 | 35360 | 90554281 |
| Exostosis | 192.92 | 39.55 | 169 | 38637 | 52965 | 90536676 |
| Hepatic cirrhosis | 190.21 | 39.55 | 181 | 38625 | 63072 | 90526569 |
| Foot deformity | 183.77 | 39.55 | 173 | 38633 | 59478 | 90530163 |
| Grip strength | 179.12 | 39.55 | 84 | 38722 | 8881 | 90580760 |
| Delirium | 178.97 | 39.55 | 222 | 38584 | 104137 | 90485504 |
| Autoimmune disorder | 176.58 | 39.55 | 190 | 38616 | 76554 | 90513087 |
| Osteoporosis | 176.31 | 39.55 | 212 | 38594 | 96319 | 90493322 |
| Breast cancer stage III | 173.46 | 39.55 | 197 | 38609 | 84250 | 90505391 |
| Joint range of motion decreased | 172.00 | 39.55 | 249 | 38557 | 135394 | 90454247 |
| Road traffic accident | 167.24 | 39.55 | 218 | 38588 | 107408 | 90482233 |
| Fall | 160.66 | 39.55 | 12 | 38794 | 481798 | 90107843 |
| Type 2 diabetes mellitus | 158.88 | 39.55 | 300 | 38506 | 202944 | 90386697 |
| Visual impairment | 157.74 | 39.55 | 236 | 38570 | 132129 | 90457512 |
| Sciatica | 156.97 | 39.55 | 205 | 38601 | 101177 | 90488464 |
| X-ray abnormal | 154.00 | 39.55 | 139 | 38667 | 45285 | 90544356 |
| Lower limb fracture | 152.45 | 39.55 | 185 | 38621 | 84828 | 90504813 |
| Ear infection | 152.24 | 39.55 | 168 | 38638 | 69607 | 90520034 |
| Pancreatitis | 152.14 | 39.55 | 168 | 38638 | 69658 | 90519983 |
| Pulmonary fibrosis | 150.57 | 39.55 | 207 | 38599 | 107296 | 90482345 |
| Joint stiffness | 150.09 | 39.55 | 176 | 38630 | 77866 | 90511775 |
| Hypercholesterolaemia | 150.01 | 39.55 | 200 | 38606 | 100692 | 90488949 |
| Prescribed underdose | 148.98 | 39.55 | 172 | 38634 | 74847 | 90514794 |
| Deep vein thrombosis postoperative | 148.50 | 39.55 | 167 | 38639 | 70642 | 90518999 |
| Seronegative arthritis | 145.31 | 39.55 | 93 | 38713 | 18141 | 90571500 |
| Amnesia | 144.60 | 39.55 | 204 | 38602 | 108301 | 90481340 |
| Sleep disorder due to a general medical condition | 134.43 | 39.55 | 128 | 38678 | 44610 | 90545031 |
| Drug ineffective | 133.76 | 39.55 | 244 | 38562 | 1384054 | 89205587 |
| Rheumatic fever | 128.37 | 39.55 | 233 | 38573 | 152888 | 90436753 |
| Grip strength decreased | 124.74 | 39.55 | 175 | 38631 | 92401 | 90497240 |
| Swollen joint count increased | 118.04 | 39.55 | 188 | 38618 | 111018 | 90478623 |
| Osteoarthritis | 116.30 | 39.55 | 258 | 38548 | 195472 | 90394169 |
| Muscle injury | 115.43 | 39.55 | 242 | 38564 | 176412 | 90413229 |
| Cough | 115.33 | 39.55 | 12 | 38794 | 368950 | 90220691 |
| Prescribed overdose | 109.10 | 39.55 | 169 | 38637 | 97456 | 90492185 |
| Sleep disorder due to general medical condition, insomnia type | 106.79 | 39.55 | 195 | 38611 | 128499 | 90461142 |
| Red blood cell sedimentation rate increased | 106.64 | 39.55 | 153 | 38653 | 82442 | 90507199 |
| Irritable bowel syndrome | 105.23 | 39.55 | 257 | 38549 | 207191 | 90382450 |
| Product dose omission issue | 103.99 | 39.55 | 5 | 38801 | 291682 | 90297959 |
| Urinary tract infection | 100.71 | 39.55 | 8 | 38798 | 305624 | 90284017 |
| Hypotension | 100.62 | 39.55 | 11 | 38795 | 325386 | 90264255 |
| Lip dry | 99.43 | 39.55 | 165 | 38641 | 100790 | 90488851 |
| Rheumatoid factor positive | 98.30 | 39.55 | 223 | 38583 | 171427 | 90418214 |
| Acute kidney injury | 91.43 | 39.55 | 14 | 38792 | 320373 | 90269268 |
| Feeling hot | 91.32 | 39.55 | 138 | 38668 | 77870 | 90511771 |
| Toxicity to various agents | 90.87 | 39.55 | 9 | 38797 | 287837 | 90301804 |
| Wheezing | 89.49 | 39.55 | 264 | 38542 | 237816 | 90351825 |
| Drug interaction | 88.98 | 39.55 | 8 | 38798 | 276445 | 90313196 |
| Impaired healing | 86.41 | 39.55 | 258 | 38548 | 233941 | 90355700 |
| White blood cell count increased | 85.97 | 39.55 | 124 | 38682 | 67117 | 90522524 |
| Oedema | 85.91 | 39.55 | 233 | 38573 | 200062 | 90389579 |
| Back pain | 85.78 | 39.55 | 16 | 38790 | 317159 | 90272482 |
| Fibromyalgia | 85.54 | 39.55 | 237 | 38569 | 206032 | 90383609 |
| Anti-cyclic citrullinated peptide antibody | 83.89 | 39.55 | 79 | 38727 | 27142 | 90562499 |
| Swollen joint count | 83.85 | 39.55 | 50 | 38756 | 8603 | 90581038 |
| Hip arthroplasty | 83.84 | 39.55 | 131 | 38675 | 76077 | 90513564 |
| Blood cholesterol increased | 83.31 | 39.55 | 236 | 38570 | 207776 | 90381865 |
| Peripheral venous disease | 81.08 | 39.55 | 136 | 38670 | 83785 | 90505856 |
| Neutropenia | 79.69 | 39.55 | 4 | 38802 | 224900 | 90364741 |
| Liver disorder | 79.01 | 39.55 | 166 | 38640 | 121103 | 90468538 |
| Laboratory test abnormal | 78.13 | 39.55 | 93 | 38713 | 41761 | 90547880 |
| Folliculitis | 78.11 | 39.55 | 228 | 38578 | 204125 | 90385516 |
| Helicobacter infection | 76.31 | 39.55 | 242 | 38564 | 226608 | 90363033 |
| Duodenal ulcer perforation | 76.22 | 39.55 | 238 | 38568 | 221050 | 90368591 |
| Injury | 75.25 | 39.55 | 220 | 38586 | 197129 | 90392512 |
| Wound | 74.15 | 39.55 | 291 | 38515 | 302689 | 90286952 |
| Arthritis | 72.10 | 39.55 | 195 | 38611 | 167120 | 90422521 |
| Weight decreased | 70.06 | 39.55 | 335 | 38471 | 379575 | 90210066 |
| Contusion | 68.67 | 39.55 | 250 | 38556 | 250966 | 90338675 |
| Spinal fusion surgery | 67.89 | 39.55 | 50 | 38756 | 12233 | 90577408 |
| Death | 67.26 | 39.55 | 58 | 38748 | 456493 | 90133148 |
| Oedema peripheral | 65.77 | 39.55 | 251 | 38555 | 257664 | 90331977 |
| Spondylitis | 63.64 | 39.55 | 51 | 38755 | 14127 | 90575514 |
| C-reactive protein abnormal | 62.57 | 39.55 | 156 | 38650 | 127273 | 90462368 |
| Somnolence | 62.29 | 39.55 | 8 | 38798 | 209076 | 90380565 |
| Psoriatic arthropathy | 62.20 | 39.55 | 227 | 38579 | 228108 | 90361533 |
| Weight fluctuation | 62.17 | 39.55 | 58 | 38748 | 19691 | 90569950 |
| Injection site pain | 61.81 | 39.55 | 3 | 38803 | 173696 | 90415945 |
| Liver injury | 60.14 | 39.55 | 185 | 38621 | 170382 | 90419259 |
| Urticaria | 59.25 | 39.55 | 278 | 38528 | 312456 | 90277185 |
| Sepsis | 58.39 | 39.55 | 5 | 38801 | 179809 | 90409832 |
| Fatigue | 57.43 | 39.55 | 277 | 38529 | 1153746 | 89435895 |
| Knee arthroplasty | 56.67 | 39.55 | 116 | 38690 | 83066 | 90506575 |
| Night sweats | 56.38 | 39.55 | 151 | 38655 | 128615 | 90461026 |
| Disability | 56.30 | 39.55 | 78 | 38728 | 40667 | 90548974 |
| Drug tolerance decreased | 56.06 | 39.55 | 69 | 38737 | 32061 | 90557580 |
| Obesity | 55.89 | 39.55 | 133 | 38673 | 105374 | 90484267 |
| Discomfort | 55.01 | 39.55 | 248 | 38558 | 274087 | 90315554 |
| Anti-cyclic citrullinated peptide antibody positive | 54.53 | 39.55 | 223 | 38583 | 236210 | 90353431 |
| Facet joint syndrome | 54.26 | 39.55 | 126 | 38680 | 98263 | 90491378 |
| COVID-19 | 54.00 | 39.55 | 5 | 38801 | 168838 | 90420803 |
| Myalgia | 53.90 | 39.55 | 6 | 38800 | 175119 | 90414522 |
| Pericarditis | 53.26 | 39.55 | 243 | 38563 | 269908 | 90319733 |
| Muscular weakness | 52.56 | 39.55 | 201 | 38605 | 206465 | 90383176 |
| Lung disorder | 52.30 | 39.55 | 162 | 38644 | 149721 | 90439920 |
| Memory impairment | 51.95 | 39.55 | 194 | 38612 | 197050 | 90392591 |
| Hand deformity | 50.77 | 39.55 | 256 | 38550 | 296106 | 90293535 |
| Dehydration | 50.06 | 39.55 | 11 | 38795 | 194436 | 90395205 |
| Overdose | 49.56 | 39.55 | 5 | 38801 | 157704 | 90431937 |
| Musculoskeletal stiffness | 48.60 | 39.55 | 253 | 38553 | 296279 | 90293362 |
| Mobility decreased | 48.28 | 39.55 | 224 | 38582 | 250510 | 90339131 |
| Hepatic enzyme increased | 48.02 | 39.55 | 291 | 38515 | 360445 | 90229196 |
| Chest discomfort | 47.34 | 39.55 | 3 | 38803 | 138362 | 90451279 |
| Nausea | 46.10 | 39.55 | 283 | 38523 | 1110033 | 89479608 |
| Bursitis | 45.65 | 39.55 | 142 | 38664 | 131512 | 90458129 |
| Blister | 45.60 | 39.55 | 223 | 38583 | 254775 | 90334866 |
| Hyponatraemia | 45.37 | 39.55 | 3 | 38803 | 133535 | 90456106 |
| Weight increased | 45.20 | 39.55 | 320 | 38486 | 417607 | 90172034 |
| Renal failure | 44.35 | 39.55 | 3 | 38803 | 131004 | 90458637 |
| Upper respiratory tract infection | 44.12 | 39.55 | 138 | 38668 | 128180 | 90461461 |
| Asthma | 43.46 | 39.55 | 212 | 38594 | 241948 | 90347693 |
| Tremor | 42.97 | 39.55 | 7 | 38799 | 153166 | 90436475 |
| Disease progression | 42.10 | 39.55 | 8 | 38798 | 156607 | 90433034 |
| Chills | 41.96 | 39.55 | 4 | 38802 | 131977 | 90457664 |
| Dyspepsia | 41.86 | 39.55 | 182 | 38624 | 197978 | 90391663 |
| Cerebrovascular accident | 41.32 | 39.55 | 3 | 38803 | 123530 | 90466111 |
| Pemphigus | 41.17 | 39.55 | 260 | 38546 | 326604 | 90263037 |
| Drug-induced liver injury | 40.63 | 39.55 | 107 | 38699 | 90211 | 90499430 |
| Seizure | 40.59 | 39.55 | 8 | 38798 | 152621 | 90437020 |
| Atrial fibrillation | 40.06 | 39.55 | 5 | 38801 | 133606 | 90456035 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Frequent bowel movements | 298.68 | 46.14 | 117 | 6812 | 21290 | 42593116 |
| Colitis ulcerative | 285.95 | 46.14 | 120 | 6809 | 26055 | 42588351 |
| Steroid dependence | 273.64 | 46.14 | 82 | 6847 | 6640 | 42607766 |
| Catarrh | 234.91 | 46.14 | 71 | 6858 | 5915 | 42608491 |
| Burns second degree | 233.64 | 46.14 | 71 | 6858 | 6025 | 42608381 |
| Impaired work ability | 230.11 | 46.14 | 83 | 6846 | 12008 | 42602398 |
| Electrocardiogram QT prolonged | 222.32 | 46.14 | 122 | 6807 | 47823 | 42566583 |
| Bronchiectasis | 218.30 | 46.14 | 89 | 6840 | 17930 | 42596476 |
| Hypopnoea | 215.68 | 46.14 | 71 | 6858 | 7811 | 42606595 |
| Parosmia | 213.35 | 46.14 | 70 | 6859 | 7621 | 42606785 |
| Intentional product use issue | 213.15 | 46.14 | 137 | 6792 | 71696 | 42542710 |
| Gingival pain | 210.47 | 46.14 | 71 | 6858 | 8423 | 42605983 |
| Systemic lupus erythematosus | 203.98 | 46.14 | 71 | 6858 | 9253 | 42605153 |
| Impaired quality of life | 202.95 | 46.14 | 79 | 6850 | 14098 | 42600308 |
| Rhinitis | 193.87 | 46.14 | 73 | 6856 | 11904 | 42602502 |
| Haematochezia | 184.59 | 46.14 | 116 | 6813 | 58320 | 42556086 |
| Cardiac murmur | 182.18 | 46.14 | 71 | 6858 | 12704 | 42601702 |
| Rectal haemorrhage | 168.09 | 46.14 | 103 | 6826 | 49503 | 42564903 |
| Alcohol poisoning | 166.90 | 46.14 | 58 | 6871 | 7516 | 42606890 |
| Swollen tongue | 144.45 | 46.14 | 70 | 6859 | 21161 | 42593245 |
| Medication error | 144.31 | 46.14 | 81 | 6848 | 33073 | 42581333 |
| Tinnitus | 143.32 | 46.14 | 77 | 6852 | 28861 | 42585545 |
| Nightmare | 139.33 | 46.14 | 72 | 6857 | 24940 | 42589466 |
| Arthritis | 139.03 | 46.14 | 86 | 6843 | 41979 | 42572427 |
| Stress | 137.59 | 46.14 | 87 | 6842 | 44125 | 42570281 |
| Migraine | 135.38 | 46.14 | 71 | 6858 | 25343 | 42589063 |
| Loss of personal independence in daily activities | 130.50 | 46.14 | 88 | 6841 | 49728 | 42564678 |
| Accidental overdose | 122.68 | 46.14 | 69 | 6860 | 28261 | 42586145 |
| Inappropriate schedule of product administration | 121.16 | 46.14 | 110 | 6819 | 95792 | 42518614 |
| Tubulointerstitial nephritis | 121.02 | 46.14 | 71 | 6858 | 31477 | 42582929 |
| Eczema | 115.93 | 46.14 | 71 | 6858 | 34015 | 42580391 |
| Vertigo | 115.43 | 46.14 | 71 | 6858 | 34276 | 42580130 |
| Dysgeusia | 113.19 | 46.14 | 70 | 6859 | 34119 | 42580287 |
| Palpitations | 105.76 | 46.14 | 78 | 6851 | 50719 | 42563687 |
| Off label use | 95.96 | 46.14 | 272 | 6657 | 638063 | 41976343 |
| Hepatotoxicity | 94.81 | 46.14 | 56 | 6873 | 25111 | 42589295 |
| Deep vein thrombosis | 90.76 | 46.14 | 85 | 6844 | 76872 | 42537534 |
| Abdominal discomfort | 84.68 | 46.14 | 81 | 6848 | 75174 | 42539232 |
| Adverse drug reaction | 81.31 | 46.14 | 59 | 6870 | 37375 | 42577031 |
| Product use in unapproved indication | 78.39 | 46.14 | 121 | 6808 | 184335 | 42430071 |
| Condition aggravated | 74.00 | 46.14 | 143 | 6786 | 260611 | 42353795 |
| Drug resistance | 69.91 | 46.14 | 52 | 6877 | 34196 | 42580210 |
| Weight decreased | 65.09 | 46.14 | 119 | 6810 | 207829 | 42406577 |
| Cerebrovascular accident | 62.64 | 46.14 | 78 | 6851 | 97082 | 42517324 |
| COVID-19 | 59.18 | 46.14 | 83 | 6846 | 115865 | 42498541 |
| Tuberculosis | 53.11 | 46.14 | 28 | 6901 | 10071 | 42604335 |
| Pulmonary embolism | 48.65 | 46.14 | 77 | 6852 | 119535 | 42494871 |
| Depression | 48.52 | 46.14 | 74 | 6855 | 111289 | 42503117 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Colitis ulcerative | 646.08 | 34.24 | 366 | 35040 | 76997 | 110476896 |
| Frequent bowel movements | 564.56 | 34.24 | 326 | 35080 | 71064 | 110482829 |
| Rectal haemorrhage | 364.61 | 34.24 | 304 | 35102 | 119529 | 110434364 |
| Porphyria acute | 348.52 | 34.24 | 153 | 35253 | 18627 | 110535266 |
| Dislocation of vertebra | 236.81 | 34.24 | 157 | 35249 | 43564 | 110510329 |
| Retinitis | 209.53 | 34.24 | 130 | 35276 | 32197 | 110521696 |
| X-ray abnormal | 209.15 | 34.24 | 138 | 35268 | 37979 | 110515914 |
| Adjustment disorder with depressed mood | 207.74 | 34.24 | 145 | 35261 | 43738 | 110510155 |
| Steroid dependence | 207.21 | 34.24 | 84 | 35322 | 8385 | 110545508 |
| Grip strength | 204.37 | 34.24 | 85 | 35321 | 9056 | 110544837 |
| Lupus-like syndrome | 177.41 | 34.24 | 128 | 35278 | 40664 | 110513229 |
| Catarrh | 176.87 | 34.24 | 72 | 35334 | 7263 | 110546630 |
| Burns second degree | 176.57 | 34.24 | 73 | 35333 | 7660 | 110546233 |
| Sleep disorder due to general medical condition, insomnia type | 156.73 | 34.24 | 181 | 35225 | 105462 | 110448431 |
| Lupus vulgaris | 146.60 | 34.24 | 106 | 35300 | 33777 | 110520116 |
| Hypopnoea | 146.54 | 34.24 | 72 | 35334 | 11308 | 110542585 |
| Fall | 142.92 | 34.24 | 14 | 35392 | 603468 | 109950425 |
| Electrocardiogram QT prolonged | 140.78 | 34.24 | 174 | 35232 | 108786 | 110445107 |
| Breast cancer stage III | 140.57 | 34.24 | 149 | 35257 | 78968 | 110474925 |
| Arthritis | 138.86 | 34.24 | 216 | 35190 | 167370 | 110386523 |
| Lip dry | 137.71 | 34.24 | 165 | 35241 | 99918 | 110453975 |
| Parosmia | 133.71 | 34.24 | 71 | 35335 | 13109 | 110540784 |
| Haematochezia | 132.69 | 34.24 | 174 | 35232 | 115350 | 110438543 |
| Wound infection | 132.66 | 34.24 | 159 | 35247 | 96306 | 110457587 |
| Bone erosion | 127.29 | 34.24 | 111 | 35295 | 46260 | 110507633 |
| Medication error | 126.16 | 34.24 | 162 | 35244 | 105204 | 110448689 |
| Autoimmune disorder | 124.70 | 34.24 | 128 | 35278 | 65355 | 110488538 |
| Gingival pain | 124.60 | 34.24 | 72 | 35334 | 15664 | 110538229 |
| Acute kidney injury | 124.40 | 34.24 | 26 | 35380 | 635404 | 109918489 |
| Alcohol poisoning | 121.94 | 34.24 | 59 | 35347 | 8961 | 110544932 |
| Exostosis | 120.13 | 34.24 | 107 | 35299 | 45849 | 110508044 |
| Peripheral venous disease | 117.88 | 34.24 | 140 | 35266 | 83977 | 110469916 |
| Laryngitis | 117.37 | 34.24 | 102 | 35304 | 42309 | 110511584 |
| Systemic lupus erythematosus | 115.66 | 34.24 | 253 | 35153 | 254085 | 110299808 |
| Toxicity to various agents | 114.12 | 34.24 | 11 | 35395 | 480544 | 110073349 |
| Impaired work ability | 112.80 | 34.24 | 82 | 35324 | 26337 | 110527556 |
| Drug interaction | 112.32 | 34.24 | 14 | 35392 | 500169 | 110053724 |
| Foot deformity | 111.37 | 34.24 | 105 | 35301 | 48375 | 110505518 |
| Feeling hot | 110.52 | 34.24 | 141 | 35265 | 90965 | 110462928 |
| Rheumatic fever | 109.99 | 34.24 | 164 | 35242 | 122415 | 110431478 |
| Hypotension | 109.86 | 34.24 | 18 | 35388 | 523831 | 110030062 |
| Bronchiectasis | 107.57 | 34.24 | 91 | 35315 | 36402 | 110517491 |
| Rhinitis | 105.52 | 34.24 | 74 | 35332 | 22471 | 110531422 |
| Intentional product use issue | 104.19 | 34.24 | 239 | 35167 | 247667 | 110306226 |
| Pancreatitis | 101.43 | 34.24 | 137 | 35269 | 93396 | 110460497 |
| Death | 100.77 | 34.24 | 49 | 35357 | 698820 | 109855073 |
| Amnesia | 100.31 | 34.24 | 145 | 35261 | 105263 | 110448630 |
| Liver disorder | 99.68 | 34.24 | 170 | 35236 | 142073 | 110411820 |
| Sleep disorder due to a general medical condition | 99.46 | 34.24 | 102 | 35304 | 52010 | 110501883 |
| Ear infection | 98.97 | 34.24 | 111 | 35295 | 62621 | 110491272 |
| Cardiac murmur | 97.41 | 34.24 | 73 | 35333 | 24555 | 110529338 |
| Swollen joint count | 97.34 | 34.24 | 50 | 35356 | 8624 | 110545269 |
| Muscle injury | 96.99 | 34.24 | 167 | 35239 | 140640 | 110413253 |
| Road traffic accident | 96.79 | 34.24 | 144 | 35262 | 107254 | 110446639 |
| Delirium | 96.77 | 34.24 | 163 | 35243 | 134862 | 110419031 |
| Laboratory test abnormal | 96.56 | 34.24 | 93 | 35313 | 43986 | 110509907 |
| C-reactive protein abnormal | 96.20 | 34.24 | 159 | 35247 | 129536 | 110424357 |
| Type 2 diabetes mellitus | 95.40 | 34.24 | 189 | 35217 | 177043 | 110376850 |
| Osteoporosis | 95.03 | 34.24 | 128 | 35278 | 87024 | 110466869 |
| Deep vein thrombosis postoperative | 93.68 | 34.24 | 105 | 35301 | 59186 | 110494707 |
| Neutropenia | 93.23 | 34.24 | 7 | 35399 | 374613 | 110179280 |
| Weight decreased | 93.09 | 34.24 | 345 | 35061 | 467712 | 110086181 |
| Impaired quality of life | 92.91 | 34.24 | 77 | 35329 | 29940 | 110523953 |
| Hepatic cirrhosis | 92.19 | 34.24 | 111 | 35295 | 67515 | 110486378 |
| Cough | 92.14 | 34.24 | 18 | 35388 | 461623 | 110092270 |
| Lower limb fracture | 90.41 | 34.24 | 116 | 35290 | 75232 | 110478661 |
| Sciatica | 89.22 | 34.24 | 128 | 35278 | 92271 | 110461622 |
| Migraine | 86.37 | 34.24 | 178 | 35228 | 171474 | 110382419 |
| Night sweats | 85.91 | 34.24 | 154 | 35252 | 133829 | 110420064 |
| Facet joint syndrome | 84.64 | 34.24 | 128 | 35278 | 96700 | 110457193 |
| Adverse drug reaction | 84.52 | 34.24 | 134 | 35272 | 105425 | 110448468 |
| Drug tolerance decreased | 83.90 | 34.24 | 70 | 35336 | 27470 | 110526423 |
| Pulmonary fibrosis | 83.73 | 34.24 | 131 | 35275 | 101911 | 110451982 |
| Joint range of motion decreased | 83.24 | 34.24 | 144 | 35262 | 121688 | 110432205 |
| White blood cell count increased | 83.21 | 34.24 | 127 | 35279 | 96715 | 110457178 |
| Duodenal ulcer perforation | 82.13 | 34.24 | 178 | 35228 | 177522 | 110376371 |
| Rheumatoid factor positive | 81.47 | 34.24 | 149 | 35257 | 131491 | 110422402 |
| Obesity | 81.43 | 34.24 | 137 | 35269 | 113214 | 110440679 |
| Ill-defined disorder | 79.31 | 34.24 | 163 | 35243 | 156690 | 110397203 |
| Walking aid user | 79.02 | 34.24 | 65 | 35341 | 25010 | 110528883 |
| Depression | 77.93 | 34.24 | 251 | 35155 | 317084 | 110236809 |
| Product dose omission issue | 77.33 | 34.24 | 7 | 35399 | 321775 | 110232118 |
| Abdominal discomfort | 77.16 | 34.24 | 289 | 35117 | 393569 | 110160324 |
| Bursitis | 76.57 | 34.24 | 144 | 35262 | 129774 | 110424119 |
| Urinary tract infection | 76.04 | 34.24 | 8 | 35398 | 326274 | 110227619 |
| Helicobacter infection | 75.99 | 34.24 | 175 | 35231 | 181702 | 110372191 |
| Fibromyalgia | 74.24 | 34.24 | 167 | 35239 | 170742 | 110383151 |
| Blood cholesterol increased | 74.14 | 34.24 | 175 | 35231 | 184610 | 110369283 |
| Swollen joint count increased | 73.69 | 34.24 | 111 | 35295 | 83550 | 110470343 |
| Discomfort | 73.14 | 34.24 | 191 | 35215 | 214516 | 110339377 |
| Weight fluctuation | 73.14 | 34.24 | 59 | 35347 | 22086 | 110531807 |
| Anti-cyclic citrullinated peptide antibody positive | 70.48 | 34.24 | 170 | 35236 | 181814 | 110372079 |
| Grip strength decreased | 70.09 | 34.24 | 106 | 35300 | 80068 | 110473825 |
| Lung disorder | 69.52 | 34.24 | 168 | 35238 | 179879 | 110374014 |
| Hand deformity | 69 | 34.24 | 189 | 35217 | 218317 | 110335576 |
| Loss of personal independence in daily activities | 69.00 | 34.24 | 150 | 35256 | 149870 | 110404023 |
| Nightmare | 68.66 | 34.24 | 73 | 35333 | 38790 | 110515103 |
| Folliculitis | 68.59 | 34.24 | 160 | 35246 | 167493 | 110386400 |
| Sepsis | 66.92 | 34.24 | 12 | 35394 | 327334 | 110226559 |
| Osteoarthritis | 65.85 | 34.24 | 166 | 35240 | 182457 | 110371436 |
| Joint dislocation | 65.38 | 34.24 | 67 | 35339 | 34123 | 110519770 |
| Hepatic enzyme increased | 64.94 | 34.24 | 238 | 35168 | 320654 | 110233239 |
| Drug resistance | 64.83 | 34.24 | 85 | 35321 | 56289 | 110497604 |
| Impaired healing | 63.95 | 34.24 | 172 | 35234 | 196545 | 110357348 |
| Hypercholesterolaemia | 62.87 | 34.24 | 108 | 35298 | 90729 | 110463164 |
| White blood cell count decreased | 60.92 | 34.24 | 3 | 35403 | 229387 | 110324506 |
| Irritable bowel syndrome | 59.97 | 34.24 | 150 | 35256 | 164065 | 110389828 |
| Contusion | 58.54 | 34.24 | 186 | 35220 | 233175 | 110320718 |
| Musculoskeletal pain | 58.46 | 34.24 | 159 | 35247 | 182864 | 110371029 |
| Back pain | 58.15 | 34.24 | 23 | 35383 | 370973 | 110182920 |
| Overdose | 56.39 | 34.24 | 5 | 35401 | 233789 | 110320104 |
| Tinnitus | 55.71 | 34.24 | 82 | 35324 | 60458 | 110493435 |
| Maternal exposure timing unspecified | 55.05 | 34.24 | 49 | 35357 | 20964 | 110532929 |
| Gastrointestinal disorder | 54.56 | 34.24 | 186 | 35220 | 241766 | 110312127 |
| Visual impairment | 53.57 | 34.24 | 127 | 35279 | 134301 | 110419592 |
| Prescribed overdose | 52.74 | 34.24 | 98 | 35308 | 87483 | 110466410 |
| Atrial fibrillation | 52.55 | 34.24 | 6 | 35400 | 229636 | 110324257 |
| Nausea | 52.47 | 34.24 | 211 | 35195 | 1235479 | 109318414 |
| Accidental overdose | 51.78 | 34.24 | 73 | 35333 | 51761 | 110502132 |
| Renal failure | 51.65 | 34.24 | 6 | 35400 | 226568 | 110327325 |
| Dehydration | 51.49 | 34.24 | 13 | 35393 | 279498 | 110274395 |
| Adverse event | 51.40 | 34.24 | 110 | 35296 | 108699 | 110445194 |
| Pemphigus | 51.07 | 34.24 | 168 | 35238 | 214402 | 110339491 |
| Respiratory disorder | 49.56 | 34.24 | 85 | 35321 | 71297 | 110482596 |
| Wound | 49.20 | 34.24 | 176 | 35230 | 234261 | 110319632 |
| Hyponatraemia | 49.03 | 34.24 | 6 | 35400 | 217647 | 110336246 |
| Inappropriate schedule of product administration | 48.07 | 34.24 | 159 | 35247 | 203478 | 110350415 |
| Tubulointerstitial nephritis | 47.76 | 34.24 | 72 | 35334 | 54212 | 110499681 |
| Glossodynia | 47.73 | 34.24 | 168 | 35238 | 221836 | 110332057 |
| Proctitis | 47.41 | 34.24 | 41 | 35365 | 16886 | 110537007 |
| Lower respiratory tract infection | 47.22 | 34.24 | 178 | 35228 | 242928 | 110310965 |
| Pregnancy | 46.74 | 34.24 | 69 | 35337 | 50998 | 110502895 |
| Injection site pain | 45.17 | 34.24 | 3 | 35403 | 177919 | 110375974 |
| Psoriatic arthropathy | 44.11 | 34.24 | 151 | 35255 | 196610 | 110357283 |
| Disease progression | 43.71 | 34.24 | 12 | 35394 | 244022 | 110309871 |
| Chills | 43.55 | 34.24 | 5 | 35401 | 190575 | 110363318 |
| Hyperhidrosis | 42.59 | 34.24 | 5 | 35401 | 187293 | 110366600 |
| Myocardial infarction | 41.58 | 34.24 | 6 | 35400 | 192077 | 110361816 |
| Vaginal flatulence | 41.47 | 34.24 | 33 | 35373 | 12111 | 110541782 |
| Gastrointestinal haemorrhage | 41.41 | 34.24 | 3 | 35403 | 165515 | 110388378 |
| Swollen tongue | 40.75 | 34.24 | 71 | 35335 | 60291 | 110493602 |
| Stomatitis | 40.74 | 34.24 | 183 | 35223 | 270059 | 110283834 |
| Blister | 40.50 | 34.24 | 162 | 35244 | 227214 | 110326679 |
| Red blood cell sedimentation rate increased | 40.29 | 34.24 | 82 | 35324 | 78220 | 110475673 |
| Pancytopenia | 40.08 | 34.24 | 9 | 35397 | 209604 | 110344289 |
| Pleural effusion | 39.77 | 34.24 | 5 | 35401 | 177704 | 110376189 |
| Dry mouth | 39.32 | 34.24 | 147 | 35259 | 199801 | 110354092 |
| Therapeutic reaction time decreased | 38.74 | 34.24 | 23 | 35383 | 5256 | 110548637 |
| Chest discomfort | 38.65 | 34.24 | 5 | 35401 | 173843 | 110380050 |
| Hepatotoxicity | 38.24 | 34.24 | 71 | 35335 | 63329 | 110490564 |
| Eczema | 37.55 | 34.24 | 76 | 35330 | 72217 | 110481676 |
| Injury | 36.25 | 34.24 | 132 | 35274 | 177133 | 110376760 |
| Stress | 36.13 | 34.24 | 94 | 35312 | 105254 | 110448639 |
| Tremor | 36.11 | 34.24 | 10 | 35396 | 202222 | 110351671 |
| Condition aggravated | 35.85 | 34.24 | 376 | 35030 | 734460 | 109819433 |
| Inflammation | 35.47 | 34.24 | 139 | 35267 | 193099 | 110360794 |
| Pericarditis | 35.01 | 34.24 | 151 | 35255 | 218963 | 110334930 |
| Platelet count decreased | 34.93 | 34.24 | 15 | 35391 | 230428 | 110323465 |
| Female genital tract fistula | 34.57 | 34.24 | 34 | 35372 | 16485 | 110537408 |
| Myalgia | 34.47 | 34.24 | 14 | 35392 | 222367 | 110331526 |
| Cardiac failure congestive | 34.40 | 34.24 | 4 | 35402 | 150996 | 110402897 |
None
| Source | Code | Description |
|---|---|---|
| ATC | J04AA01 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Aminosalicylic acid and derivatives |
| ATC | J04AA02 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Aminosalicylic acid and derivatives |
| ATC | J04AA03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Aminosalicylic acid and derivatives |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000995 | Antitubercular Agents |
| CHEBI has role | CHEBI:33231 | antitubercular agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Acute tuberculosis | indication | 25629007 | |
| Pulmonary tuberculosis | indication | 154283005 | DOID:2957 |
| Crohn's disease | off-label use | 34000006 | |
| Ulcerative colitis | off-label use | 64766004 | DOID:8577 |
| Goiter | contraindication | 3716002 | DOID:12176 |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Hypokalemia | contraindication | 43339004 | |
| Crystalluria | contraindication | 46784006 | |
| Chronic heart failure | contraindication | 48447003 | |
| Acidosis | contraindication | 51387008 | |
| Duodenal ulcer disease | contraindication | 51868009 | DOID:1724 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Deficiency of glucose-6-phosphate dehydrogenase | contraindication | 124134002 | DOID:2862 |
| Cobalamin deficiency | contraindication | 190634004 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Gastric ulcer | contraindication | 397825006 | DOID:10808 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.71 | acidic |
| pKa2 | 12.94 | acidic |
| pKa3 | 2.33 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Cyclooxygenase | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
| Tyrosine-protein phosphatase non-receptor type 1 | Enzyme | Kd | 2.92 | CHEMBL | |||||
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | Kinase | WOMBAT-PK |
| ID | Source |
|---|---|
| 4018852 | VUID |
| N0000180192 | NUI |
| D00162 | KEGG_DRUG |
| 133-09-5 | SECONDARY_CAS_RN |
| 4018852 | VANDF |
| 4018919 | VANDF |
| C0030125 | UMLSCUI |
| CHEBI:27565 | CHEBI |
| CHEMBL1169 | ChEMBL_ID |
| CHEMBL1200584 | ChEMBL_ID |
| CHEMBL2105983 | ChEMBL_ID |
| CHEMBL2096646 | ChEMBL_ID |
| CHEMBL1200966 | ChEMBL_ID |
| D010131 | MESH_DESCRIPTOR_UI |
| DB00233 | DRUGBANK_ID |
| 6018-19-5 | SECONDARY_CAS_RN |
| 5B2658E0N2 | UNII |
| 4649 | PUBCHEM_CID |
| 7833 | RXNORM |
| 10002 | MMSL |
| 4176 | MMSL |
| d01099 | MMSL |
| d04226 | MMSL |
| 002845 | NDDF |
| 002846 | NDDF |
| 002847 | NDDF |
| 20231007 | SNOMEDCT_US |
| 255666002 | SNOMEDCT_US |
| 417238004 | SNOMEDCT_US |
| 65222005 | SNOMEDCT_US |
| BHA | PDB_CHEM_ID |
| 13652 | IUPHAR_LIGAND_ID |
None