Molecule Details
| InChIKey | JZUFKLXOESDKRF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Hydrochlorothiazide |
| Canonical SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.43 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00999 |
|---|---|
| Drug Name | Hydrochlorothiazide |
| CAS Number | 58-93-5 |
| Groups | approved investigational vet_approved |
| ATC Codes | C09BX03 C03AX01 C03AB03 C09DX03 C03EA01 C09DX06 C09XA52 G01AE10 C09DX01 C03AA03 C09XA54 C09DX08 C09DX07 |
| Description | Hydrochlorothiazide is the most commonly prescribed thiazide diuretic.[A185138] It is indicated to treat edema and hypertension.[A185138,L8447,L8450] Hydrochlorothiazide use is common but declining in favour of angiotensin converting enzyme inhibitors.[A185138] Many combination products are availabl... |
Categories: Amides Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Benzothiadiazines Cardiovascular Agents Diuretics Drugs causing inadvertant photosensitivity Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Heterocyclic Compounds, Fused-Ring Hyperglycemia-Associated Agents Hypotensive Agents Increased Diuresis Low-Ceiling Diuretics and Potassium-Sparing Agents Membrane Transport Modulators Natriuretic Agents Nephrotoxic agents Non Potassium Sparing Diuretics OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Substrates Photosensitizing Agents Potential QTc-Prolonging Agents QTc Prolonging Agents Sodium Chloride Symporter Inhibitors Sulfonamides Sulfones Sulfur Compounds Thiazides
Cross-references: BindingDB: 13076 ChEBI: 5778 CHEMBL435 ChemSpider: 3513 Drugs Product Database (DPD): 10234 C07041 D00340 PDB: HCZ PharmGKB: PA449899 PubChem:3639 PubChem:46504440 RxCUI: 5487 Therapeutic Targets Database: DAP000750 Wikipedia: Hydrochlorothiazide ZINC: ZINC000000896569
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.5 | pIC50 | TTD_MultiTarget |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.5 | Ki | BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.4 | Ki | BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.4 | Ki | BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.2 | Ki | BindingDB |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P55017 | P55017 | Solute carrier family 12 member 3 | inhibitor | targets |
| Q12791 | KCNMA1 | Calcium-activated potassium channel subunit alpha-1 | inhibitor | targets |
| P12821 | ACE | Angiotensin-converting enzyme | modulator | targets |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| O15439 | O15439 | ATP-binding cassette sub-family C member 4 | substrate | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | substrate | transporters |