Molecule Details
| InChIKey | XEFQLINVKFYRCS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Triclosan |
| Canonical SMILES | Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.77 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08604 |
|---|---|
| Drug Name | Triclosan |
| CAS Number | 3380-34-5 |
| Groups | approved |
| ATC Codes | D08AE04 D09AA06 |
| Description | An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as ... |
Categories: Anti-Infective Agents Anti-Infective Agents, Local Antiseptics and Disinfectants Benzene Derivatives Dermatologicals Ethers Fatty Acid Synthesis Inhibitors Hypolipidemic Agents Medicated Dressings Medicated Dressings With Antiinfectives Miscellaneous Local Anti-infectives Phenol and Derivatives Phenols Phenyl Ethers
Cross-references: BindingDB: 8726 ChEBI: 164200 CHEMBL849 ChemSpider: 5363 Drugs Product Database (DPD): 2813 C12059 D06226 PDB: TCL PubChem:5564 PubChem:99445075 RxCUI: 10795 Wikipedia: Triclosan ZINC: ZINC000000002216
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P16152 | CBR1 | Homo sapiens | Human | PF00106 | 6.8 | IC50 | ChEMBL;BindingDB |
| A0Q794 | fabl | Francisella tularensis subsp. novicida (strain ATCC 15482 / CCUG 33449 / U112) | Pathogen | PF13561 | 10.3 | Ki | BindingDB |
| Q6UCJ9 | ENR | Toxoplasma gondii | Pathogen | PF13561 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q965D5 | fabI | Plasmodium falciparum | Pathogen | PF13561 | 7.5 | Ki | ChEMBL;BindingDB |
| Q3JG55 | fabI-1 | Burkholderia pseudomallei (strain 1710b) | Pathogen | PF13561 | 7.5 | Ki | BindingDB |
| P9WGR1 | inhA | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF13561 | 6.7 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| A0A6L8PBX8 | A0A6L8PBX8 | Enoyl-[acyl-carrier-protein] reductase [NADH] | binder | targets |
| O24990 | O24990 | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | binder | targets |
| O75469 | NR1I2 | Nuclear receptor subfamily 1 group I member 2 | binder | targets |
| P0AEK4 | fabI | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | binder | targets |
| P10275 | AR | Androgen receptor | binder | targets |
| P37231 | PPARG | Peroxisome proliferator-activated receptor gamma | binder | targets |
| P9WGR1 | inhA | Enoyl-[acyl-carrier-protein] reductase [NADH] | binder | targets |
| Q6GI75 | fabI | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | binder | targets |
| Q14994 | NR1I3 | Nuclear receptor subfamily 1 group I member 3 | inverse agonist | targets |
| P29474 | NOS3 | Nitric oxide synthase 3 | stimulator | targets |
| P07202 | TPO | Thyroid peroxidase | weak inhibitor | targets |