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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4289 | 6217-54-5 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 52 | |||
| kinase-selectivity-class | GRK2,MAP2K6,STK33,TEK | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
| 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 |
|---|---|---|---|---|---|---|
| Psoriatic arthropathy | 113.66 | 32.51 | 146 | 11961 | 228189 | 90388151 |
| Pneumonia aspiration | 109.02 | 32.51 | 68 | 12039 | 40872 | 90575468 |
| Hepatic necrosis | 77.45 | 32.51 | 30 | 12077 | 6408 | 90609932 |
| Rheumatic disorder | 75.62 | 32.51 | 25 | 12082 | 3383 | 90612957 |
| Coma | 74.25 | 32.51 | 68 | 12039 | 72564 | 90543776 |
| Blood immunoglobulin M increased | 69.38 | 32.51 | 19 | 12088 | 1353 | 90614987 |
| Type 2 diabetes mellitus | 67.16 | 32.51 | 107 | 12000 | 203137 | 90413203 |
| Blood immunoglobulin A decreased | 64.74 | 32.51 | 19 | 12088 | 1737 | 90614603 |
| Muscle injury | 63.93 | 32.51 | 97 | 12010 | 176557 | 90439783 |
| Liver injury | 63.64 | 32.51 | 95 | 12012 | 170472 | 90445868 |
| Pericarditis | 63.00 | 32.51 | 122 | 11985 | 270029 | 90346311 |
| Mobility decreased | 61.87 | 32.51 | 116 | 11991 | 250618 | 90365722 |
| Lower respiratory tract infection | 59.42 | 32.51 | 114 | 11993 | 250545 | 90365795 |
| Stomatitis | 56.80 | 32.51 | 118 | 11989 | 274580 | 90341760 |
| Muscle spasticity | 56.80 | 32.51 | 43 | 12064 | 35279 | 90581061 |
| Hepatic encephalopathy | 55.62 | 32.51 | 30 | 12077 | 13742 | 90602598 |
| Drug-induced liver injury | 54.96 | 32.51 | 64 | 12043 | 90254 | 90526086 |
| Blood immunoglobulin G increased | 54.91 | 32.51 | 19 | 12088 | 2953 | 90613387 |
| Urticaria | 54.06 | 32.51 | 125 | 11982 | 312609 | 90303731 |
| Fall | 52.32 | 32.51 | 3 | 12104 | 481807 | 90134533 |
| Hepatic enzyme abnormal | 49.68 | 32.51 | 23 | 12084 | 7619 | 90608721 |
| Nasopharyngitis | 48.99 | 32.51 | 142 | 11965 | 406962 | 90209378 |
| Incorrect route of product administration | 47.11 | 32.51 | 45 | 12062 | 50581 | 90565759 |
| Rheumatoid arthritis | 47.05 | 32.51 | 130 | 11977 | 362484 | 90253856 |
| Colitis microscopic | 47.00 | 32.51 | 25 | 12082 | 11134 | 90605206 |
| Gastrooesophageal reflux disease | 46.13 | 32.51 | 81 | 12026 | 166256 | 90450084 |
| Musculoskeletal pain | 45.70 | 32.51 | 82 | 12025 | 171169 | 90445171 |
| Night sweats | 45.56 | 32.51 | 70 | 12037 | 128696 | 90487644 |
| Sinusitis | 45.50 | 32.51 | 124 | 11983 | 342964 | 90273376 |
| Pemphigus | 45.22 | 32.51 | 120 | 11987 | 326744 | 90289596 |
| Cataract operation | 44.64 | 32.51 | 20 | 12087 | 6143 | 90610197 |
| C-reactive protein | 43.52 | 32.51 | 35 | 12072 | 31332 | 90585008 |
| Ear pain | 42.16 | 32.51 | 45 | 12062 | 57657 | 90558683 |
| Hernia | 41.33 | 32.51 | 25 | 12082 | 14206 | 90602134 |
| Lip dry | 40.18 | 32.51 | 58 | 12049 | 100897 | 90515443 |
| Skin reaction | 39.98 | 32.51 | 27 | 12080 | 18526 | 90597814 |
| Multiple allergies | 39.90 | 32.51 | 25 | 12082 | 15121 | 90601219 |
| Red blood cell sedimentation rate increased | 39.72 | 32.51 | 52 | 12055 | 82543 | 90533797 |
| Body temperature increased | 38.33 | 32.51 | 38 | 12069 | 44672 | 90571668 |
| Respiratory disorder | 37.88 | 32.51 | 45 | 12062 | 64771 | 90551569 |
| Helicobacter infection | 36.25 | 32.51 | 88 | 12019 | 226762 | 90389578 |
| Fibromyalgia | 36.20 | 32.51 | 83 | 12024 | 206186 | 90410154 |
| Anaemia | 35.95 | 32.51 | 3 | 12104 | 352799 | 90263541 |
| Joint swelling | 35.49 | 32.51 | 147 | 11960 | 503153 | 90113187 |
| Wound infection | 35.07 | 32.51 | 56 | 12051 | 106346 | 90509994 |
| Death | 34.88 | 32.51 | 9 | 12098 | 456542 | 90159798 |
| Lupus vulgaris | 34.44 | 32.51 | 36 | 12071 | 45023 | 90571317 |
| Multiple fractures | 33.58 | 32.51 | 19 | 12088 | 9543 | 90606797 |
| Osteoarthritis | 33.51 | 32.51 | 78 | 12029 | 195652 | 90420688 |
| Contraindicated product administered | 33.15 | 32.51 | 106 | 12001 | 320033 | 90296307 |
| Cough | 32.93 | 32.51 | 5 | 12102 | 368957 | 90247383 |
| Glaucoma | 32.77 | 32.51 | 25 | 12082 | 20730 | 90595610 |
| 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 |
|---|---|---|---|---|---|---|
| Child abuse | 197.83 | 83.00 | 32 | 1147 | 860 | 42619296 |
| Epidural lipomatosis | 188.44 | 83.00 | 34 | 1145 | 1766 | 42618390 |
| Juvenile idiopathic arthritis | 175.45 | 83.00 | 34 | 1145 | 2605 | 42617551 |
| Respiratory depression | 130.40 | 83.00 | 39 | 1140 | 18829 | 42601327 |
| Product prescribing error | 117.92 | 83.00 | 39 | 1140 | 26073 | 42594083 |
| Drug dependence | 113.78 | 83.00 | 39 | 1140 | 29055 | 42591101 |
| Obesity | 113.59 | 83.00 | 34 | 1145 | 16425 | 42603731 |
| Victim of child abuse | 108.41 | 83.00 | 20 | 1159 | 1169 | 42618987 |
| Intentional product misuse | 85.21 | 83.00 | 39 | 1140 | 61861 | 42558295 |
| 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 |
|---|---|---|---|---|---|---|
| Child abuse | 155.71 | 36.09 | 32 | 11298 | 857 | 110577112 |
| Epidural lipomatosis | 138.94 | 36.09 | 34 | 11296 | 2033 | 110575936 |
| Psoriatic arthropathy | 112.88 | 36.09 | 119 | 11211 | 196642 | 110381327 |
| Juvenile idiopathic arthritis | 103.07 | 36.09 | 34 | 11296 | 5973 | 110571996 |
| Obesity | 102.09 | 36.09 | 88 | 11242 | 113263 | 110464706 |
| Victim of child abuse | 81.80 | 36.09 | 20 | 11310 | 1191 | 110576778 |
| Rheumatic disorder | 80.87 | 36.09 | 25 | 11305 | 3566 | 110574403 |
| Hepatic necrosis | 72.60 | 36.09 | 30 | 11300 | 9892 | 110568077 |
| Blood immunoglobulin M increased | 71.05 | 36.09 | 19 | 11311 | 1618 | 110576351 |
| Rheumatoid arthritis | 70.58 | 36.09 | 117 | 11213 | 299496 | 110278473 |
| Lower respiratory tract infection | 68.40 | 36.09 | 103 | 11227 | 243003 | 110334966 |
| Muscle injury | 68.24 | 36.09 | 78 | 11252 | 140729 | 110437240 |
| Pemphigus | 66.26 | 36.09 | 95 | 11235 | 214475 | 110363494 |
| Blood immunoglobulin A decreased | 65.09 | 36.09 | 19 | 11311 | 2229 | 110575740 |
| Pericarditis | 63.29 | 36.09 | 94 | 11236 | 219020 | 110358949 |
| Incorrect route of product administration | 62.28 | 36.09 | 52 | 11278 | 64009 | 110513960 |
| Mobility decreased | 61.73 | 36.09 | 97 | 11233 | 237325 | 110340644 |
| Respiratory depression | 60.91 | 36.09 | 39 | 11291 | 31962 | 110546007 |
| Liver injury | 60.85 | 36.09 | 76 | 11254 | 150337 | 110427632 |
| Musculoskeletal pain | 59.40 | 36.09 | 83 | 11247 | 182940 | 110395029 |
| Nasopharyngitis | 58.04 | 36.09 | 126 | 11204 | 394235 | 110183734 |
| Contraindicated product administered | 57.16 | 36.09 | 96 | 11234 | 248171 | 110329798 |
| Blood immunoglobulin G increased | 55.23 | 36.09 | 19 | 11311 | 3789 | 110574180 |
| Lip dry | 54.60 | 36.09 | 59 | 11271 | 100024 | 110477945 |
| Type 2 diabetes mellitus | 54.01 | 36.09 | 78 | 11252 | 177154 | 110400815 |
| Helicobacter infection | 53.91 | 36.09 | 79 | 11251 | 181798 | 110396171 |
| Product use issue | 53.35 | 36.09 | 106 | 11224 | 311589 | 110266380 |
| Red blood cell sedimentation rate increased | 53.30 | 36.09 | 52 | 11278 | 78250 | 110499719 |
| Acute kidney injury | 53.04 | 36.09 | 3 | 11327 | 635427 | 109942542 |
| C-reactive protein | 52.91 | 36.09 | 35 | 11295 | 30296 | 110547673 |
| Systemic lupus erythematosus | 52.86 | 36.09 | 94 | 11236 | 254244 | 110323725 |
| Drug-induced liver injury | 52.32 | 36.09 | 63 | 11267 | 120004 | 110457965 |
| Muscle spasticity | 52.13 | 36.09 | 37 | 11293 | 35878 | 110542091 |
| Multiple allergies | 51.05 | 36.09 | 25 | 11305 | 12238 | 110565731 |
| Cataract operation | 50.66 | 36.09 | 20 | 11310 | 5863 | 110572106 |
| Hepatic enzyme abnormal | 50.13 | 36.09 | 23 | 11307 | 9740 | 110568229 |
| Night sweats | 49.92 | 36.09 | 65 | 11265 | 133918 | 110444051 |
| Fall | 49.90 | 36.09 | 3 | 11327 | 603479 | 109974490 |
| Osteoarthritis | 49.38 | 36.09 | 76 | 11254 | 182547 | 110395422 |
| Colitis microscopic | 48.96 | 36.09 | 25 | 11305 | 13369 | 110564600 |
| Arthropathy | 48.26 | 36.09 | 97 | 11233 | 287425 | 110290544 |
| Fibromyalgia | 47.44 | 36.09 | 72 | 11258 | 170837 | 110407132 |
| Pneumonia aspiration | 46.27 | 36.09 | 49 | 11281 | 81184 | 110496785 |
| Drug dependence | 45.33 | 36.09 | 39 | 11291 | 49981 | 110527988 |
| Product prescribing error | 44.45 | 36.09 | 39 | 11291 | 51292 | 110526677 |
| Nausea | 44.44 | 36.09 | 37 | 11293 | 1235653 | 109342316 |
| Death | 44.11 | 36.09 | 9 | 11321 | 698860 | 109879109 |
| Skin reaction | 43.31 | 36.09 | 27 | 11303 | 21117 | 110556852 |
| Ear pain | 43.23 | 36.09 | 39 | 11291 | 53187 | 110524782 |
| Hepatic encephalopathy | 43.08 | 36.09 | 30 | 11300 | 28226 | 110549743 |
| Nail disorder | 42.30 | 36.09 | 40 | 11290 | 57895 | 110520074 |
| Facet joint syndrome | 40.86 | 36.09 | 50 | 11280 | 96778 | 110481191 |
| Joint swelling | 40.39 | 36.09 | 118 | 11212 | 442727 | 110135242 |
| Lupus vulgaris | 40.38 | 36.09 | 31 | 11299 | 33852 | 110544117 |
| Hernia | 40.19 | 36.09 | 25 | 11305 | 19475 | 110558494 |
| Duodenal ulcer perforation | 39.92 | 36.09 | 68 | 11262 | 177632 | 110400337 |
| Multiple fractures | 39.54 | 36.09 | 19 | 11311 | 8921 | 110569048 |
| Hypotension | 39.39 | 36.09 | 4 | 11326 | 523845 | 110054124 |
| Hypoaesthesia | 39.09 | 36.09 | 94 | 11236 | 314129 | 110263840 |
| Wound infection | 37.81 | 36.09 | 48 | 11282 | 96417 | 110481552 |
| Hepatic cirrhosis | 37.11 | 36.09 | 40 | 11290 | 67586 | 110510383 |
| Glaucoma | 36.90 | 36.09 | 25 | 11305 | 22492 | 110555477 |
| Sciatica | 36.25 | 36.09 | 46 | 11284 | 92353 | 110485616 |
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:77746 | human metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pregnancy, function | indication | 289908002 | |
| Breastfeeding (mother) | indication | 413712001 | |
| Prevention of Fetal Neural Tube Defects during Pregnancy | off-label use |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.37 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Aromatase | Enzyme | IC50 | 4.48 | CHEMBL | |||||
| Retinoic acid receptor RXR-alpha | Nuclear hormone receptor | Ki | 5.20 | CHEMBL | |||||
| Free fatty acid receptor 1 | GPCR | AGONIST | EC50 | 6 | IUPHAR | ||||
| Oxoeicosanoid receptor 1 | GPCR | IC50 | 5.70 | CHEMBL | |||||
| Prostaglandin G/H synthase 2 | Enzyme | IC50 | 5.01 | CHEMBL | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 4.82 | CHEMBL | |||||
| Transient receptor potential cation channel subfamily A member 1 | Ion channel | ACTIVATOR | EC50 | 4.40 | IUPHAR |
| ID | Source |
|---|---|
| 4020132 | VUID |
| N0000148111 | NUI |
| 4020132 | VANDF |
| C2348308 | UMLSCUI |
| CHEBI:28125 | CHEBI |
| CHEMBL367149 | ChEMBL_ID |
| DB03756 | DRUGBANK_ID |
| 6428 | INN_ID |
| ZAD9OKH9JC | UNII |
| 445580 | PUBCHEM_CID |
| 1006469 | RXNORM |
| 002051 | NDDF |
| 226368001 | SNOMEDCT_US |
| F22 | PDB_CHEM_ID |
| HXA | PDB_CHEM_ID |
| 1051 | IUPHAR_LIGAND_ID |
| C532150 | MESH_SUPPLEMENTAL_RECORD_UI |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| CitraNatal Harmony | HUMAN PRESCRIPTION DRUG LABEL | 8 | 0178-0798 | CAPSULE, GELATIN COATED | 260 mg | ORAL | UNAPPROVED DRUG OTHER | 11 sections |
| CitraNatal Harmony | HUMAN PRESCRIPTION DRUG LABEL | 8 | 0178-0799 | CAPSULE, GELATIN COATED | 250 mg | ORAL | Unapproved drug other | 11 sections |
| CitraNatal Harmony | HUMAN PRESCRIPTION DRUG LABEL | 8 | 0178-0812 | CAPSULE, GELATIN COATED | 250 mg | ORAL | Unapproved drug other | 11 sections |
| VitafolUltra | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0642-0093 | CAPSULE, LIQUID FILLED | 200 mg | ORAL | unapproved drug other | 13 sections |
| Vitafol Fe Plus | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0642-7473 | CAPSULE, LIQUID FILLED | 200 mg | ORAL | unapproved drug other | 14 sections |
| TriStart DHA | HUMAN PRESCRIPTION DRUG LABEL | 15 | 15370-250 | CAPSULE, LIQUID FILLED | 200 mg | ORAL | UNAPPROVED DRUG OTHER | 12 sections |
| BP Vit 3 | HUMAN PRESCRIPTION DRUG LABEL | 7 | 42192-301 | CAPSULE, COATED | 350 mg | ORAL | unapproved drug other | 7 sections |
| PNV-DHA | HUMAN PRESCRIPTION DRUG LABEL | 10 | 42192-321 | CAPSULE, GELATIN COATED | 300 mg | ORAL | unapproved drug other | 11 sections |
| PNV-DHA | HUMAN PRESCRIPTION DRUG LABEL | 8 | 42192-323 | CAPSULE, GELATIN COATED | 300 mg | ORAL | unapproved drug other | 11 sections |
| PNV-Omega | HUMAN PRESCRIPTION DRUG LABEL | 13 | 42192-332 | CAPSULE, GELATIN COATED | 300 mg | ORAL | unapproved drug other | 12 sections |
| Animi-3 with Vitamin D | HUMAN PRESCRIPTION DRUG LABEL | 8 | 66213-542 | CAPSULE | 250 mg | ORAL | unapproved drug other | 14 sections |
| Animi-3 | HUMAN PRESCRIPTION DRUG LABEL | 8 | 66213-543 | CAPSULE | 250 mg | ORAL | unapproved drug other | 14 sections |
| PRENATE Restore | HUMAN PRESCRIPTION DRUG LABEL | 12 | 75854-308 | CAPSULE, GELATIN COATED | 400 mg | ORAL | unapproved drug other | 13 sections |
| PRENATE Enhance | HUMAN PRESCRIPTION DRUG LABEL | 12 | 75854-309 | CAPSULE, GELATIN COATED | 400 mg | ORAL | unapproved drug other | 11 sections |
| PRENATE DHA | HUMAN PRESCRIPTION DRUG LABEL | 11 | 75854-312 | CAPSULE, GELATIN COATED | 300 mg | ORAL | unapproved drug other | 12 sections |
| Prenate Essential | HUMAN PRESCRIPTION DRUG LABEL | 14 | 75854-313 | CAPSULE, GELATIN COATED | 300 mg | ORAL | unapproved drug other | 13 sections |
| Prenate Mini | HUMAN PRESCRIPTION DRUG LABEL | 15 | 75854-315 | CAPSULE, GELATIN COATED | 350 mg | ORAL | unapproved drug other | 12 sections |
| Prenate Pixie | HUMAN PRESCRIPTION DRUG LABEL | 12 | 75854-316 | TABLET, FILM COATED | 200 mg | ORAL | unapproved drug other | 12 sections |