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