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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 2174 | 59995-65-2 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 0.15 | g | O |
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 16 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 0 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CG,PIM2,PRKDC,STK33,TEK,TTK,ZAP70 | 40 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2 | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
| 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 |
|---|---|---|---|---|---|---|
| Heart sounds | 169.27 | 38.25 | 28 | 1921 | 1116 | 90625382 |
| Prolonged expiration | 166.63 | 38.25 | 28 | 1921 | 1229 | 90625269 |
| Depressive symptom | 126.50 | 38.25 | 28 | 1921 | 5257 | 90621241 |
| Appetite disorder | 121.29 | 38.25 | 30 | 1919 | 9103 | 90617395 |
| Respiration abnormal | 120.21 | 38.25 | 29 | 1920 | 7934 | 90618564 |
| Rales | 96.02 | 38.25 | 28 | 1921 | 15799 | 90610699 |
| Flank pain | 94.89 | 38.25 | 29 | 1920 | 19193 | 90607305 |
| Angina pectoris | 78.25 | 38.25 | 30 | 1919 | 39130 | 90587368 |
| Sleep disorder due to a general medical condition | 70.94 | 38.25 | 29 | 1920 | 44709 | 90581789 |
| Stress | 68.88 | 38.25 | 34 | 1915 | 81361 | 90545137 |
| Depressed mood | 67.70 | 38.25 | 29 | 1920 | 50193 | 90576305 |
| Productive cough | 61.67 | 38.25 | 31 | 1918 | 77032 | 90549466 |
| Dyspnoea exertional | 60.56 | 38.25 | 30 | 1919 | 72258 | 90554240 |
| Rhinorrhoea | 60.51 | 38.25 | 32 | 1917 | 88284 | 90538214 |
| Nasal congestion | 59.35 | 38.25 | 31 | 1918 | 83383 | 90543115 |
| Chest discomfort | 47.20 | 38.25 | 32 | 1917 | 138333 | 90488165 |
| Influenza | 47.01 | 38.25 | 32 | 1917 | 139232 | 90487266 |
| Upper respiratory tract infection | 44.54 | 38.25 | 30 | 1919 | 128288 | 90498210 |
| Asthma | 43.01 | 38.25 | 38 | 1911 | 242122 | 90384376 |
None
| 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 |
|---|---|---|---|---|---|---|
| Heart sounds | 169.93 | 33.50 | 28 | 2294 | 1115 | 110585862 |
| Prolonged expiration | 161.37 | 33.50 | 28 | 2294 | 1524 | 110585453 |
| Appetite disorder | 119.96 | 33.50 | 30 | 2292 | 9739 | 110577238 |
| Respiration abnormal | 114.86 | 33.50 | 29 | 2293 | 9780 | 110577197 |
| Depressive symptom | 114.18 | 33.50 | 28 | 2294 | 8386 | 110578591 |
| Flank pain | 90.26 | 33.50 | 29 | 2293 | 23101 | 110563876 |
| Rales | 84.33 | 33.50 | 28 | 2294 | 24711 | 110562266 |
| Sleep disorder due to a general medical condition | 67.30 | 33.50 | 29 | 2293 | 52083 | 110534894 |
| Angina pectoris | 65.47 | 33.50 | 30 | 2292 | 62265 | 110524712 |
| Depressed mood | 63.01 | 33.50 | 29 | 2293 | 60780 | 110526197 |
| Rhinorrhoea | 62.16 | 33.50 | 34 | 2288 | 102632 | 110484345 |
| Stress | 61.34 | 33.50 | 34 | 2288 | 105314 | 110481663 |
| Nasal congestion | 55.24 | 33.50 | 31 | 2291 | 98251 | 110488726 |
| Dyspnoea exertional | 50.94 | 33.50 | 30 | 2292 | 104030 | 110482947 |
| Productive cough | 50.89 | 33.50 | 31 | 2291 | 114274 | 110472703 |
| Upper respiratory tract infection | 46.94 | 33.50 | 31 | 2291 | 131297 | 110455680 |
| Chest discomfort | 45.72 | 33.50 | 34 | 2288 | 173814 | 110413163 |
| Influenza | 42.08 | 33.50 | 32 | 2290 | 169069 | 110417908 |
| Asthma | 40.69 | 33.50 | 37 | 2285 | 250254 | 110336723 |
| Lower respiratory tract infection | 39.63 | 33.50 | 36 | 2286 | 243070 | 110343907 |
| Injury | 38.60 | 33.50 | 31 | 2291 | 177234 | 110409743 |
| Weight decreased | 36.68 | 33.50 | 47 | 2275 | 468010 | 110118967 |
| Nasopharyngitis | 34.73 | 33.50 | 42 | 2280 | 394319 | 110192658 |
| Insomnia | 34.38 | 33.50 | 40 | 2282 | 360550 | 110226427 |
| Malaise | 34.31 | 33.50 | 55 | 2267 | 671764 | 109915213 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A03AX04 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS Other drugs for functional gastrointestinal disorders |
| MeSH PA | D000077264 | Calcium-Regulating Hormones and Agents |
| MeSH PA | D002121 | Calcium Channel Blockers |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D010276 | Parasympatholytics |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D049990 | Membrane Transport Modulators |
None
None
None
None
None
None
None
| ID | Source |
|---|---|
| D07094 | KEGG_DRUG |
| C0071081 | UMLSCUI |
| CHEBI:135811 | CHEBI |
| CHEMBL1909324 | ChEMBL_ID |
| CHEMBL1909298 | ChEMBL_ID |
| DB09090 | DRUGBANK_ID |
| C013199 | MESH_SUPPLEMENTAL_RECORD_UI |
| 53251-94-8 | SECONDARY_CAS_RN |
| U2368VVE7O | UNII |
| 40704 | PUBCHEM_CID |
| 33724 | RXNORM |
| 003872 | NDDF |
| 003873 | NDDF |
| 698023008 | SNOMEDCT_US |
| 3696 | INN_ID |
| U2368VVE7O | INXIGHT DRUGS |
None