| Stem definition | Drug id | CAS RN |
|---|---|---|
| diuretics, chlorothiazide derivatives | 1392 | 135-09-1 |
| Dose | Unit | Route |
|---|---|---|
| 25 | mg | O |
| 25 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.30 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 90 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 10.05 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 2.20 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 9.70 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 5.20 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 22, 1959 | FDA | SHIRE LLC |
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None
None
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| Source | Code | Description |
|---|---|---|
| ATC | C03AA02 | CARDIOVASCULAR SYSTEM DIURETICS LOW-CEILING DIURETICS, THIAZIDES Thiazides, plain |
| ATC | C03AB02 | CARDIOVASCULAR SYSTEM DIURETICS LOW-CEILING DIURETICS, THIAZIDES Thiazides and potassium in combination |
| ATC | C03AH02 | CARDIOVASCULAR SYSTEM DIURETICS LOW-CEILING DIURETICS, THIAZIDES Thiazides, combinations with psycholeptics and/or analgesics |
| FDA CS | M0471776 | Thiazides |
| FDA PE | N0000175359 | Increased Diuresis |
| FDA EPC | N0000175419 | Thiazide Diuretic |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D004232 | Diuretics |
| MeSH PA | D049990 | Membrane Transport Modulators |
| MeSH PA | D045283 | Natriuretic Agents |
| MeSH PA | D049993 | Sodium Chloride Symporter Inhibitors |
| CHEBI has role | CHEBI:35498 | diuretics |
| CHEBI has role | CHEBI:35674 | antihypertensive drugs |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
| Edema | indication | 267038008 | |
| Calcium renal calculus | off-label use | 427649000 | |
| 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
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.86 | acidic |
| pKa2 | 10.57 | acidic |
| pKa3 | 1.75 | Basic |
None
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| 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 | 7.37 | WOMBAT-PK | CHEMBL |
| ID | Source |
|---|---|
| 4018143 | VUID |
| N0000146480 | NUI |
| D00654 | KEGG_DRUG |
| 4018143 | VANDF |
| C0020273 | UMLSCUI |
| CHEBI:5784 | CHEBI |
| HFZ | PDB_CHEM_ID |
| CHEMBL1763 | ChEMBL_ID |
| DB00774 | DRUGBANK_ID |
| D006857 | MESH_DESCRIPTOR_UI |
| 3647 | PUBCHEM_CID |
| 7197 | IUPHAR_LIGAND_ID |
| 895 | INN_ID |
| 501CFL162R | UNII |
| 5495 | RXNORM |
| 4845 | MMSL |
| d00645 | MMSL |
| 002296 | NDDF |
| 18914005 | SNOMEDCT_US |
| 395946004 | SNOMEDCT_US |
None