HEXACHLOROPHENE


SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
InChIKey ACGUYXCXAPNIKK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 403.9

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pKi 5.86 5.86 5.86 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.99 5.99 5.99 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.69 5.69 5.69 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.44 5.44 5.44 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.62 5.62 5.62 ChEMBL
A3 AA3R Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.25 8.25 8.25 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
NK2 NK2R Human Tachykinin A pKi 8.23 8.23 8.23 Drug Central
A2A AA2AR Human Adenosine A pKi 8.22 8.22 8.22 Drug Central
A3 AA3R Human Adenosine A pKi 8.19 8.19 8.19 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 5.38 5.38 5.38 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.16 5.16 5.16 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pEC50 5.01 5.01 5.01 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.26 5.26 5.26 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.25 5.25 5.25 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.34 5.34 5.34 ChEMBL
A3 AA3R Human Adenosine A pIC50 6.2 6.2 6.2 ChEMBL
A2A AA2AR Human Adenosine A pIC50 5.79 5.79 5.79 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.0 5.0 5.0 ChEMBL