| Stem definition | Drug id | CAS RN |
|---|---|---|
| diuretics, chlorothiazide derivatives | 332 | 91-33-8 |
None
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 7.71 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 25 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| S (Water solubility) | 0.01 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Bocci G, Oprea TI, Benet LZ |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Oct. 14, 1960 | FDA | AH ROBINS INC |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:35498 | diuretics |
| CHEBI has role | CHEBI:35674 | antihypertensive drugs |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Suicidal thoughts | contraindication | 6471006 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Chronic disease of respiratory system | contraindication | 17097001 | |
| Electroconvulsive therapy | contraindication | 23835007 | |
| Depressive disorder | contraindication | 35489007 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Chronic heart failure | contraindication | 48447003 | |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Calculus in biliary tract | contraindication | 266474003 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.99 | acidic |
| pKa2 | 10.02 | acidic |
| pKa3 | 5.33 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Solute carrier family 12 member 3 | Transporter | INHIBITOR | A2 | 8.17 | WOMBAT-PK | CHEMBL | |||
| Carbonic anhydrase 2 | Enzyme | WOMBAT-PK | |||||||
| Carbonic anhydrase 1 | Enzyme | WOMBAT-PK | |||||||
| Carbonic anhydrase 4 | Enzyme | WOMBAT-PK | |||||||
| Calcium-activated potassium channel subunit alpha-1 | Ion channel | WOMBAT-PK |
| ID | Source |
|---|---|
| 4018417 | VUID |
| N0000179049 | NUI |
| D00651 | KEGG_DRUG |
| 19008 | RXNORM |
| C0053245 | UMLSCUI |
| CHEBI:3047 | CHEBI |
| CHEMBL1201039 | ChEMBL_ID |
| DB00562 | DRUGBANK_ID |
| C004463 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2343 | PUBCHEM_CID |
| 7125 | IUPHAR_LIGAND_ID |
| 944 | INN_ID |
| 1TD8J48L61 | UNII |
| 4263 | MMSL |
| d00644 | MMSL |
| 400874008 | SNOMEDCT_US |
| 66290002 | SNOMEDCT_US |
| 4018417 | VANDF |
| 002298 | NDDF |
None