Molecule Details
| InChIKey | AQCHWTWZEMGIFD-UHFFFAOYSA-N |
|---|---|
| Compound Name | Metolazone |
| Canonical SMILES | Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.12 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00524 |
|---|---|
| Drug Name | Metolazone |
| CAS Number | 17560-51-9 |
| Groups | approved investigational |
| ATC Codes | C03EA12 G01AE10 C03BA08 |
| Description | A quinazoline-sulfonamide that is considered a thiazide-like diuretic which is long-acting so useful in chronic renal failure. It also tends to lower blood pressure and increase potassium loss. |
Categories: Amides Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Cardiovascular Agents Diuretics Drugs that are Mainly Renally Excreted 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 Low-Ceiling Diuretics, Excl. Thiazides Membrane Transport Modulators Natriuretic Agents Non Potassium Sparing Diuretics Quinazolines Quinazolinones Sodium Chloride Symporter Inhibitors Sulfonamides Sulfones Sulfur Compounds Thiazide-like Diuretic
Cross-references: BindingDB: 25899 ChEBI: 64354 CHEMBL878 ChemSpider: 4026 Drugs Product Database (DPD): 8133 D00431 PharmGKB: PA164781022 PubChem:4170 PubChem:46509058 RxCUI: 6916 Therapeutic Targets Database: DAP000749 Wikipedia: Metolazone
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.7 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.3 | Ki | BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.7 | Ki | BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.5 | Ki | BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.5 | Ki | BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.1 | Ki | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P55017 | P55017 | Solute carrier family 12 member 3 | inhibitor | targets |