Molecule Details
| InChIKey | LMJSLTNSBFUCMU-UHFFFAOYSA-N |
|---|---|
| Compound Name | Trichlormethiazide |
| Canonical SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.84 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01021 |
|---|---|
| Drug Name | Trichlormethiazide |
| CAS Number | 133-67-5 |
| Groups | approved vet_approved |
| ATC Codes | G01AE10 C03AA06 C03EA02 C03AB06 |
| Description | A thiazide diuretic with properties similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830) |
Categories: Antihypertensive Agents Benzothiadiazines Cardiovascular Agents Diuretics Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Heterocyclic Compounds, Fused-Ring Hyperglycemia-Associated Agents Low-Ceiling Diuretics and Potassium-Sparing Agents Membrane Transport Modulators Natriuretic Agents Sodium Chloride Symporter Inhibitors Sulfonamides Sulfones Sulfur Compounds Thiazides
Cross-references: BindingDB: 50647948 ChEBI: 9683 CHEMBL1054 ChemSpider: 5359 Drugs Product Database (DPD): 9580 C07767 D00658 PharmGKB: PA164752426 PubChem:5560 PubChem:46508880 RxCUI: 10772 Therapeutic Targets Database: DAP000035 Wikipedia: Trichlormethiazide
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | pIC50 | TTD_MultiTarget |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.9 | Ki | ChEMBL |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P51580 | TPMT | Thiopurine S-methyltransferase | inhibitor | enzymes |
| Q13621 | Q13621 | Solute carrier family 12 member 1 | blocker | targets |
| P00915 | CA1 | Carbonic anhydrase 1 | inhibitor | targets |
| P00918 | CA2 | Carbonic anhydrase 2 | inhibitor | targets |
| P05023 | ATP1A1 | Sodium/potassium-transporting ATPase subunit alpha-1 | inhibitor | targets |
| P22748 | CA4 | Carbonic anhydrase 4 | inhibitor | targets |
| P55017 | P55017 | Solute carrier family 12 member 3 | inhibitor | targets |