Stem definition | Drug id | CAS RN |
---|---|---|
quinoline derivatives | 1973 | 128-62-1 |
Dose | Unit | Route |
---|---|---|
0.13 | g | O |
Property | Value | Reference |
---|---|---|
BA (Bioavailability) | 30 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 2.30 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 16.88 mL/min/kg | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 2.13 hours | Lombardo F, Berellini G, Obach RS |
None
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 |
---|---|---|---|---|---|---|
Toxicity to various agents | 422.98 | 225.19 | 133 | 295 | 200229 | 34756274 |
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 |
---|---|---|---|---|---|---|
Toxicity to various agents | 375.92 | 163.37 | 123 | 349 | 421417 | 79322499 |
Drug abuse | 205.64 | 163.37 | 63 | 409 | 162628 | 79581288 |
None
Source | Code | Description |
---|---|---|
ATC | R05DA07 | RESPIRATORY SYSTEM COUGH AND COLD PREPARATIONS COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS Opium alkaloids and derivatives |
MeSH PA | D000996 | Antitussive Agents |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D019141 | Respiratory System Agents |
CHEBI has role | CHEBI:35610 | antineoplastic agents |
CHEBI has role | CHEBI:51177 | anti-tussive |
CHEBI has role | CHEBI:68495 | Type I cell-death inducers |
CHEBI has role | CHEBI:76924 | plant metabolites |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Tachyarrhythmia | contraindication | 6285003 | |
Alcoholism | contraindication | 7200002 | |
Peptic ulcer | contraindication | 13200003 | DOID:750 |
Pulmonary edema | contraindication | 19242006 | DOID:11396 |
Myocardial infarction | contraindication | 22298006 | DOID:5844 |
Shock | contraindication | 27942005 | |
Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
Acute hepatitis | contraindication | 37871000 | |
Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
Hypothyroidism | contraindication | 40930008 | DOID:1459 |
Third trimester pregnancy | contraindication | 41587001 | |
Chronic heart failure | contraindication | 48447003 | |
Multiple organ failure | contraindication | 57653000 | |
Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
Cor pulmonale | contraindication | 83291003 | DOID:8515 |
Seizure disorder | contraindication | 128613002 | |
Cystic fibrosis | contraindication | 190905008 | DOID:1485 |
Angina pectoris | contraindication | 194828000 | |
Disease of liver | contraindication | 235856003 | DOID:409 |
Sepsis syndrome | contraindication | 238150007 | |
Continuous fever | contraindication | 271751000 | |
Smoking cessation assistance | contraindication | 384742004 | |
Smokes tobacco daily | contraindication | 449868002 | |
Theophylline Toxicity | contraindication | ||
Severe Hypoxemia | contraindication |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 6.51 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 | Enzyme | IC50 | 5.09 | DRUG MATRIX | |||||
Cytochrome P450 2C19 | Enzyme | IC50 | 6.40 | DRUG MATRIX | |||||
Solute carrier family 22 member 2 | Transporter | IC50 | 5.59 | CHEMBL | |||||
Multidrug and toxin extrusion protein 1 | Transporter | IC50 | 4.46 | CHEMBL |
ID | Source |
---|---|
N0000166975 | NUI |
D01036 | KEGG_DRUG |
C0028426 | UMLSCUI |
CHEBI:73237 | CHEBI |
08N | PDB_CHEM_ID |
CHEMBL364713 | ChEMBL_ID |
D009665 | MESH_DESCRIPTOR_UI |
DB06174 | DRUGBANK_ID |
275196 | PUBCHEM_CID |
10212 | IUPHAR_LIGAND_ID |
632 | INN_ID |
912-60-7 | SECONDARY_CAS_RN |
8V32U4AOQU | UNII |
7533 | RXNORM |
001654 | NDDF |
006427 | NDDF |
387437002 | SNOMEDCT_US |
76696004 | SNOMEDCT_US |
CHEMBL2106732 | ChEMBL_ID |
None