Molecule Details
| InChIKey | ACGUYXCXAPNIKK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Hexachlorophene |
| Canonical SMILES | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00756 |
|---|---|
| Drug Name | Hexachlorophene |
| CAS Number | 70-30-4 |
| Groups | approved withdrawn |
| ATC Codes | D08AE01 |
| Description | A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopo... |
Categories: Anti-Infective Agents Anti-Infective Agents, Local Antiseptics and Disinfectants Benzene Derivatives Chlorobenzenes Chlorophenols Dermatologicals Drugs causing inadvertant photosensitivity Phenol and Derivatives Phenols Photosensitizing Agents
Cross-references: BindingDB: 31712 ChEBI: 5693 CHEMBL496 ChemSpider: 3472 Drugs Product Database (DPD): 9751 C08039 D00859 PDB: H3P PharmGKB: PA449871 PubChem:3598 PubChem:46505858 RxCUI: 5293 Therapeutic Targets Database: DAP001050 Wikipedia: Hexachlorophene ZINC: ZINC000001530968
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 7.0 | IC50 | ChEMBL;BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL |
| P35354 | PTGS2 | Homo sapiens | Human | PF03098 | 6.2 | IC50 | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.1 | IC50 | ChEMBL |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.1 | pIC50 | TTD_MultiTarget |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 7.0 | pIC50 | TTD_MultiTarget |
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 6.0 | IC50 | BindingDB |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P03372 | ESR1 | Estrogen receptor | binder | targets |
| O14521 | O14521 | Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial | inhibitor | targets |
| P00367 | P00367 | Glutamate dehydrogenase 1, mitochondrial | inhibitor | targets |
| P06149 | P06149 | Quinone-dependent D-lactate dehydrogenase | inhibitor | targets |