| 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