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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antihistaminics or local vasoconstrictors, antazoline derivatives | 3658 | 526-36-3 |
| Dose | Unit | Route |
|---|---|---|
| 0.80 | mg | N |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.917 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 4.571 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 6.637 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 5.495 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 21.710 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 33.540 | % | High | 1 |
| herg | hERG pIC50 | 5.053 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.811 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 15.996 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 28.760 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 44 | |||
| kinase-selectivity-class | BRAF,GRK2,PDK4 | 3 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.724 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 45.709 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 17.780 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 11.885 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 30.580 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 65.615 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 48.040 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 33.230 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 870.964 | uM | High | 1 |
| 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 |
|---|---|---|---|---|---|---|
| Reversible cerebral vasoconstriction syndrome | 143.47 | 26.60 | 30 | 2020 | 4100 | 90622297 |
| Rebound nasal congestion | 109.12 | 26.60 | 13 | 2037 | 35 | 90626362 |
| Thunderclap headache | 105.05 | 26.60 | 16 | 2034 | 352 | 90626045 |
| Analgesic therapy | 81.62 | 26.60 | 14 | 2036 | 658 | 90625739 |
| Antacid therapy | 80.01 | 26.60 | 14 | 2036 | 740 | 90625657 |
| Appendicolith | 79.88 | 26.60 | 14 | 2036 | 747 | 90625650 |
| Drug therapy | 79.03 | 26.60 | 14 | 2036 | 795 | 90625602 |
| Anticoagulant therapy | 78.89 | 26.60 | 14 | 2036 | 803 | 90625594 |
| Atrial septal defect | 73.81 | 26.60 | 20 | 2030 | 8214 | 90618183 |
| Foetal exposure during pregnancy | 67.25 | 26.60 | 28 | 2022 | 42947 | 90583450 |
| Subarachnoid haemorrhage | 58.49 | 26.60 | 20 | 2030 | 17884 | 90608513 |
| Hyperphosphataemia | 57.77 | 26.60 | 14 | 2036 | 3697 | 90622700 |
| Blood phosphorus increased | 55.66 | 26.60 | 14 | 2036 | 4304 | 90622093 |
| Aortic stenosis | 50.34 | 26.60 | 14 | 2036 | 6322 | 90620075 |
| Blood uric acid increased | 47.63 | 26.60 | 14 | 2036 | 7690 | 90618707 |
| Activated partial thromboplastin time prolonged | 47.41 | 26.60 | 14 | 2036 | 7811 | 90618586 |
| End stage renal disease | 46.16 | 26.60 | 14 | 2036 | 8557 | 90617840 |
| Appendicitis | 43.71 | 26.60 | 14 | 2036 | 10217 | 90616180 |
| Haemangioma congenital | 43.67 | 26.60 | 8 | 2042 | 548 | 90625849 |
| Cerebral artery stenosis | 43.18 | 26.60 | 8 | 2042 | 583 | 90625814 |
| Blood calcium increased | 41.45 | 26.60 | 14 | 2036 | 12044 | 90614353 |
| Nasal turbinate hypertrophy | 39.64 | 26.60 | 8 | 2042 | 913 | 90625484 |
| Gout | 36.87 | 26.60 | 14 | 2036 | 16845 | 90609552 |
| Anticholinergic syndrome | 35.88 | 26.60 | 9 | 2041 | 2734 | 90623663 |
| Nasal mucosal disorder | 34.05 | 26.60 | 8 | 2042 | 1849 | 90624548 |
| Blood test abnormal | 33.92 | 26.60 | 14 | 2036 | 20938 | 90605459 |
| Nasal septum deviation | 33.69 | 26.60 | 8 | 2042 | 1935 | 90624462 |
| Hyperlipidaemia | 32.71 | 26.60 | 14 | 2036 | 22902 | 90603495 |
| Bacterial infection | 32.40 | 26.60 | 14 | 2036 | 23430 | 90602967 |
| Cardiogenic shock | 31.83 | 26.60 | 14 | 2036 | 24454 | 90601943 |
| Allergy to animal | 29.67 | 26.60 | 7 | 2043 | 1647 | 90624750 |
| Mastocytosis | 27.78 | 26.60 | 6 | 2044 | 950 | 90625447 |
| 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 |
|---|---|---|---|---|---|---|
| Appendicolith | 376.82 | 92.80 | 125 | 7216 | 13331 | 42600663 |
| Appendicitis | 331.89 | 92.80 | 127 | 7214 | 20486 | 42593508 |
| Blood phosphorus increased | 313.64 | 92.80 | 107 | 7234 | 12418 | 42601576 |
| Myasthenia gravis | 309.29 | 92.80 | 113 | 7228 | 16024 | 42597970 |
| Stress | 273.51 | 92.80 | 139 | 7202 | 44073 | 42569921 |
| Ventricular fibrillation | 266.18 | 92.80 | 121 | 7220 | 30002 | 42583992 |
| Hyperphosphataemia | 260.09 | 92.80 | 94 | 7247 | 12910 | 42601084 |
| Analgesic therapy | 258.51 | 92.80 | 79 | 7262 | 6445 | 42607549 |
| Cardiogenic shock | 249.77 | 92.80 | 122 | 7219 | 35518 | 42578476 |
| Blood uric acid increased | 240.16 | 92.80 | 93 | 7248 | 15454 | 42598540 |
| Neuralgia | 235.98 | 92.80 | 106 | 7235 | 25541 | 42588453 |
| Hypophosphataemia | 233.13 | 92.80 | 99 | 7242 | 20846 | 42593148 |
| Drug therapy | 226.39 | 92.80 | 71 | 7270 | 6309 | 42607685 |
| Ascites | 222.55 | 92.80 | 132 | 7209 | 56546 | 42557448 |
| Sleep disorder therapy | 220.98 | 92.80 | 71 | 7270 | 6823 | 42607171 |
| Bacterial infection | 218.23 | 92.80 | 103 | 7238 | 27776 | 42586218 |
| Incorrect route of product administration | 212.64 | 92.80 | 97 | 7244 | 24208 | 42589786 |
| Dry mouth | 205.48 | 92.80 | 111 | 7230 | 39768 | 42574226 |
| Abdominal distension | 198.79 | 92.80 | 134 | 7207 | 71601 | 42542393 |
| Blood cholesterol increased | 197.69 | 92.80 | 95 | 7246 | 26646 | 42587348 |
| Iron deficiency | 184.50 | 92.80 | 70 | 7271 | 10991 | 42603003 |
| Multiple organ dysfunction syndrome | 181.78 | 92.80 | 143 | 7198 | 96892 | 42517102 |
| Hyponatraemia | 174.03 | 92.80 | 142 | 7199 | 101320 | 42512674 |
| Diabetes mellitus | 161.02 | 92.80 | 110 | 7231 | 59977 | 42554017 |
| Intentional product misuse | 158.06 | 92.80 | 110 | 7231 | 61790 | 42552204 |
| Swelling | 148.27 | 92.80 | 101 | 7240 | 54784 | 42559210 |
| Antacid therapy | 144.68 | 92.80 | 47 | 7294 | 4670 | 42609324 |
| Anticoagulant therapy | 142.40 | 92.80 | 46 | 7295 | 4489 | 42609505 |
| Thrombosis | 141.33 | 92.80 | 107 | 7234 | 68404 | 42545590 |
| Chronic obstructive pulmonary disease | 140.07 | 92.80 | 103 | 7238 | 63011 | 42550983 |
| General physical health deterioration | 137.93 | 92.80 | 149 | 7192 | 151097 | 42462897 |
| Sleep disorder | 128.67 | 92.80 | 88 | 7253 | 48007 | 42565987 |
| Activated partial thromboplastin time prolonged | 128.17 | 92.80 | 60 | 7281 | 15843 | 42598151 |
| Somnolence | 121.62 | 92.80 | 135 | 7206 | 140970 | 42473024 |
| Ulcer | 120.17 | 92.80 | 58 | 7283 | 16383 | 42597611 |
| Drug intolerance | 120.07 | 92.80 | 104 | 7237 | 80320 | 42533674 |
| End stage renal disease | 110.80 | 92.80 | 55 | 7286 | 16503 | 42597491 |
| Troponin increased | 103.48 | 92.80 | 55 | 7286 | 19007 | 42594987 |
| Drug hypersensitivity | 103.10 | 92.80 | 105 | 7236 | 99284 | 42514710 |
| Blood calcium increased | 100.77 | 92.80 | 42 | 7299 | 8412 | 42605582 |
| Hyperlipidaemia | 94.55 | 92.80 | 54 | 7287 | 21462 | 42592532 |
| Gout | 93.67 | 92.80 | 59 | 7282 | 27996 | 42585998 |
| 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 |
|---|---|---|---|---|---|---|
| Appendicolith | 526.74 | 45.70 | 139 | 8974 | 14116 | 110566070 |
| Appendicitis | 439.98 | 45.70 | 141 | 8972 | 28323 | 110551863 |
| Blood phosphorus increased | 425.43 | 45.70 | 121 | 8992 | 16219 | 110563967 |
| Analgesic therapy | 377.07 | 45.70 | 93 | 9020 | 7191 | 110572995 |
| Myasthenia gravis | 375.70 | 45.70 | 117 | 8996 | 21394 | 110558792 |
| Hyperphosphataemia | 367.25 | 45.70 | 108 | 9005 | 16273 | 110563913 |
| Drug therapy | 336.92 | 45.70 | 85 | 9028 | 7206 | 110572980 |
| Blood uric acid increased | 334.04 | 45.70 | 107 | 9006 | 21422 | 110558764 |
| Ventricular fibrillation | 333.25 | 45.70 | 126 | 8987 | 41187 | 110538999 |
| Cardiogenic shock | 326.61 | 45.70 | 136 | 8977 | 57202 | 110522984 |
| Sleep disorder therapy | 290.93 | 45.70 | 76 | 9037 | 7395 | 110572791 |
| Ascites | 290.33 | 45.70 | 145 | 8968 | 92663 | 110487523 |
| Bacterial infection | 288.68 | 45.70 | 117 | 8996 | 45919 | 110534267 |
| Hypophosphataemia | 277.70 | 45.70 | 104 | 9009 | 33078 | 110547108 |
| Neuralgia | 269.34 | 45.70 | 113 | 9000 | 48365 | 110531821 |
| Stress | 267.32 | 45.70 | 143 | 8970 | 105205 | 110474981 |
| Antacid therapy | 238.87 | 45.70 | 61 | 9052 | 5423 | 110574763 |
| Anticoagulant therapy | 235.32 | 45.70 | 60 | 9053 | 5301 | 110574885 |
| Multiple organ dysfunction syndrome | 228.79 | 45.70 | 147 | 8966 | 151563 | 110428623 |
| Diabetes mellitus | 219.17 | 45.70 | 123 | 8990 | 99258 | 110480928 |
| Iron deficiency | 219.11 | 45.70 | 75 | 9038 | 18401 | 110561785 |
| Abdominal distension | 214.30 | 45.70 | 149 | 8964 | 174954 | 110405232 |
| Incorrect route of product administration | 205.84 | 45.70 | 102 | 9011 | 63959 | 110516227 |
| Activated partial thromboplastin time prolonged | 201.38 | 45.70 | 74 | 9039 | 22294 | 110557892 |
| Chronic obstructive pulmonary disease | 195.38 | 45.70 | 118 | 8995 | 109040 | 110471146 |
| Hyponatraemia | 187.48 | 45.70 | 150 | 8963 | 217503 | 110362683 |
| End stage renal disease | 185.80 | 45.70 | 69 | 9044 | 21404 | 110558782 |
| Thrombosis | 180.49 | 45.70 | 112 | 9001 | 108550 | 110471636 |
| Intentional product misuse | 171.71 | 45.70 | 117 | 8996 | 132787 | 110447399 |
| Gout | 159.78 | 45.70 | 72 | 9041 | 36494 | 110543692 |
| Sepsis | 151.01 | 45.70 | 159 | 8954 | 327187 | 110252999 |
| Dry mouth | 149.52 | 45.70 | 127 | 8986 | 199821 | 110380365 |
| Blood calcium increased | 148.87 | 45.70 | 56 | 9057 | 17984 | 110562202 |
| Hyperlipidaemia | 148.46 | 45.70 | 68 | 9045 | 35780 | 110544406 |
| Aortic stenosis | 139.31 | 45.70 | 49 | 9064 | 13010 | 110567176 |
| Troponin increased | 137.67 | 45.70 | 61 | 9052 | 29705 | 110550481 |
| Somnolence | 130.96 | 45.70 | 141 | 8972 | 297308 | 110282878 |
| Blood test abnormal | 127.20 | 45.70 | 57 | 9056 | 28497 | 110551689 |
| Reversible cerebral vasoconstriction syndrome | 122.64 | 45.70 | 35 | 9078 | 4726 | 110575460 |
| Ulcer | 121.90 | 45.70 | 63 | 9050 | 43053 | 110537133 |
| Constipation | 121.04 | 45.70 | 148 | 8965 | 357638 | 110222548 |
| Blood cholesterol increased | 119.28 | 45.70 | 108 | 9005 | 184677 | 110395509 |
| General physical health deterioration | 117.34 | 45.70 | 159 | 8954 | 425136 | 110155050 |
| Congenital hiatus hernia | 108.99 | 45.70 | 34 | 9079 | 6225 | 110573961 |
| Pulmonary embolism | 107.44 | 45.70 | 109 | 9004 | 214365 | 110365821 |
| Bronchopulmonary aspergillosis allergic | 99.06 | 45.70 | 34 | 9079 | 8392 | 110571794 |
| Rebound nasal congestion | 96.84 | 45.70 | 14 | 9099 | 48 | 110580138 |
| Bacteroides infection | 91.37 | 45.70 | 25 | 9088 | 2894 | 110577292 |
| Sleep disorder | 88.77 | 45.70 | 95 | 9018 | 198549 | 110381637 |
| Abdominal pain | 80.35 | 45.70 | 148 | 8965 | 512841 | 110067345 |
| Thunderclap headache | 77.13 | 45.70 | 16 | 9097 | 562 | 110579624 |
| Total lung capacity decreased | 77.03 | 45.70 | 27 | 9086 | 7087 | 110573099 |
| Drug intolerance | 68.32 | 45.70 | 121 | 8992 | 406391 | 110173795 |
| Benign prostatic hyperplasia | 67.43 | 45.70 | 32 | 9081 | 18202 | 110561984 |
| Pleuritic pain | 64.86 | 45.70 | 30 | 9083 | 16110 | 110564076 |
| Drug hypersensitivity | 63.61 | 45.70 | 125 | 8988 | 453965 | 110126221 |
| Micturition urgency | 62.68 | 45.70 | 31 | 9082 | 19289 | 110560897 |
| Swelling | 60.91 | 45.70 | 106 | 9007 | 350935 | 110229251 |
| Respiratory symptom | 57.63 | 45.70 | 27 | 9086 | 14918 | 110565268 |
| Aspiration | 57.10 | 45.70 | 34 | 9079 | 30499 | 110549687 |
| Anaemia | 55.31 | 45.70 | 132 | 8981 | 546954 | 110033232 |
| Condition aggravated | 51.73 | 45.70 | 155 | 8958 | 734681 | 109845505 |
| Lung opacity | 51.04 | 45.70 | 23 | 9090 | 11629 | 110568557 |
| Breath sounds abnormal | 49.36 | 45.70 | 29 | 9084 | 25375 | 110554811 |
| Cardiovascular disorder | 46.92 | 45.70 | 27 | 9086 | 22733 | 110557453 |
None
| Source | Code | Description |
|---|---|---|
| ATC | R01AA07 | RESPIRATORY SYSTEM NASAL PREPARATIONS DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE Sympathomimetics, plain |
| ATC | R01AB06 | RESPIRATORY SYSTEM NASAL PREPARATIONS DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE Sympathomimetics, combinations excl. corticosteroids |
| ATC | S01GA03 | SENSORY ORGANS OPHTHALMOLOGICALS DECONGESTANTS AND ANTIALLERGICS Sympathomimetics used as decongestants |
| ATC | S01GA53 | SENSORY ORGANS OPHTHALMOLOGICALS DECONGESTANTS AND ANTIALLERGICS Sympathomimetics used as decongestants |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D014662 | Vasoconstrictor Agents |
| MeSH PA | D014663 | Nasal Decongestants |
| MeSH PA | D019141 | Respiratory System Agents |
| CHEBI has role | CHEBI:77715 | nasal decongestant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Nasal discharge | indication | 64531003 | |
| Nasal congestion | indication | 68235000 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Heart disease | contraindication | 56265001 | DOID:114 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Transsphenoidal hypophysectomy | contraindication | 171948002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.95 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor | GPCR | AGONIST | Ki | 5.98 | PDSP | SCIENTIFIC LITERATURE | |||
| Alpha-1A adrenergic receptor | GPCR | Ki | 7.04 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1B | GPCR | Ki | 7.89 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1D | GPCR | Ki | 9.15 | CHEMBL | |||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 7.82 | PDSP | |||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 6.89 | PDSP | |||||
| Adrenergic receptor alpha-2 | GPCR | IC50 | 7.64 | CHEMBL | |||||
| Adrenergic receptor alpha-1 | GPCR | IC50 | 6.24 | CHEMBL | |||||
| Adrenergic receptor alpha | GPCR | Ki | 8.32 | CHEMBL |
| ID | Source |
|---|---|
| 4020518 | VUID |
| N0000148237 | NUI |
| D00757 | KEGG_DRUG |
| 1218-35-5 | SECONDARY_CAS_RN |
| 4020500 | VANDF |
| 4020518 | VANDF |
| C0078643 | UMLSCUI |
| CHEBI:10082 | CHEBI |
| CHEMBL312448 | ChEMBL_ID |
| DB06694 | DRUGBANK_ID |
| CHEMBL1256400 | ChEMBL_ID |
| C009695 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5709 | PUBCHEM_CID |
| 517 | IUPHAR_LIGAND_ID |
| 809 | INN_ID |
| WPY40FTH8K | UNII |
| 226046 | RXNORM |
| 12647 | MMSL |
| 5697 | MMSL |
| 001804 | NDDF |
| 004727 | NDDF |
| 372841007 | SNOMEDCT_US |
| 75327003 | SNOMEDCT_US |
| 76289007 | SNOMEDCT_US |
| WPY40FTH8K | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| SinosilNasal Decongestant | HUMAN OTC DRUG LABEL | 1 | 44237-007 | SPRAY | 0.02 mL | NASAL | OTC monograph final | 14 sections |
| Metarivin Soln. 0.1% | HUMAN OTC DRUG LABEL | 1 | 72988-0030 | LIQUID | 1 mg | NASAL | unapproved drug other | 7 sections |