Compound Detail
CHEMBL496
HEXACHLOROPHENE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL496 |
| Name | HEXACHLOROPHENE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | ACGUYXCXAPNIKK-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
51
Targets
93
Activities
3
Assay Types
0
PK Parameters
20
Publications
20
Known Names
1
Mechanisms
Molecular Properties
406.9
MW (Da)
6.61
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1949 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bacterial enoyl-[acyl-carrier-protein] reductase inhibitor | INHIBITOR | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | ✓ | ✓ |
ATC Classification
D08AE01
hexachlorophene
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS
Drug Warnings
Withdrawn
dermatological toxicity
teratogenicity, embryotoxicity, neurotoxicity, photosensitizing and allergic potential
Withdrawn
teratogenicity
teratogenicity, embryotoxicity, neurotoxicity, photosensitizing and allergic potential
Withdrawn
dermatological toxicity
teratogenicity, embryotoxicity, neurotoxicity, photosensitizing and allergic potential
Withdrawn
neurotoxicity
teratogenicity, embryotoxicity, neurotoxicity, photosensitizing and allergic potential
Withdrawn
immune system toxicity
teratogenicity, embryotoxicity, neurotoxicity, photosensitizing and allergic potential
Activity Summary
IC50 72 meas. best 8.52
EC50 11 meas. best 6.7
Ki 10 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.52 | 5.7987 | 3.0 | 23 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.06 | 7.06 | 87.6 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 7.01 | 7.01 | 98.3 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 6.71 | 6.71 | 196.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.7 | 6.7 | 202.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.61 | 6.61 | 244.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.58 | 6.58 | 262.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.44 | 6.44 | 361.1 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 6.2 | 6.2 | 638.9 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.19 | 6.19 | 644.3 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.13 | 6.13 | 748.6 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 6.04 | 6.04 | 906.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.99 | 5.99 | 1013.5 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.91 | 5.91 | 1226.5 | 1 |
| HSP60/HSP10 CHEMBL4106131 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.88 | 5.88 | 1313.3 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 5.86 | 5.86 | 1379.7 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 5.85 | 5.59 | 1400.0 | 2 |
| N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D CHEMBL4630839 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | IC50 | 5.79 | 5.79 | 1613.8 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.76 | 5.76 | 1725.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.69 | 5.69 | 2061.2 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.67 | 5.67 | 2161.6 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.64 | 5.64 | 2310.6 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.62 | 5.62 | 2411.7 | 1 |
| Mitogen-activated protein kinase 3 CHEMBL3385 | IC50 | 5.61 | 5.61 | 2484.4 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.61 | 5.61 | 2432.5 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.52 | 5.52 | 3014.9 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 5.51 | 5.51 | 3087.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 5.48 | 5.48 | 3318.8 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 5.48 | 5.48 | 3316.9 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 5.46 | 5.46 | 3478.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.44 | 5.44 | 3623.9 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.43 | 5.43 | 3733.6 | 1 |
| Plasmodium yoelii CHEMBL612889 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Substance-K receptor CHEMBL2327 | IC50 | 5.38 | 5.38 | 4139.2 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.36 | 5.36 | 4349.4 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.34 | 5.34 | 4604.2 | 1 |
| ClpP1P2 CHEMBL4662931 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 5.3 | 5.3 | 4975.3 | 1 |
| Candida albicans CHEMBL366 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 5.26 | 5.26 | 5488.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.26 | 5.26 | 5496.5 | 1 |
| Macrophage migration inhibitory factor CHEMBL2085 | Ki | 5.26 | 5.26 | 5550.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.25 | 5.25 | 5694.7 | 1 |
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 5.16 | 5.16 | 6975.4 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.14 | 5.14 | 7270.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.14 | 5.14 | 7260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine