HALOPROGIN


SMILES Clc1cc(Cl)c(OCC#CI)cc1Cl
InChIKey CTETYYAZBPJBHE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 359.8

Drug properties

Molecular type Small molecule
Physiological/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 6.31 6.31 6.31 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.6 6.6 6.6 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.23 6.23 6.23 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.34 6.34 6.34 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.55 6.55 6.55 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.73 5.73 5.73 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.87 5.87 5.87 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.78 6.78 6.78 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.16 6.16 6.16 ChEMBL
A3 AA3R Human Adenosine A pKi 6.9 6.9 6.9 ChEMBL
κ OPRK Human Opioid A pKi 6.34 6.34 6.34 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.18 8.18 8.18 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
D1 DRD1 Human Dopamine A pKi 8.18 8.18 8.18 Drug Central
D3 DRD3 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
κ OPRK Human Opioid A pKi 8.2 8.2 8.2 Drug Central
NK2 NK2R Human Tachykinin A pKi 8.2 8.2 8.2 Drug Central
A3 AA3R Human Adenosine A pKi 8.16 8.16 8.16 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 5.83 5.83 5.83 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.26 6.26 6.26 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.39 5.39 5.39 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.91 5.91 5.91 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.25 6.25 6.25 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.4 5.4 5.4 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.58 5.58 5.58 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.31 6.31 6.31 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.62 5.62 5.62 ChEMBL
A3 AA3R Human Adenosine A pIC50 6.65 6.65 6.65 ChEMBL
κ OPRK Human Opioid A pIC50 5.94 5.94 5.94 ChEMBL