CHEMBL1908985


SMILES COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1
InChIKey WGIPGQAPFNVWIX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 527.1

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
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.03 7.03 7.03 ChEMBL
κ OPRK Human Opioid A pKi 5.83 5.83 5.83 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 6.26 6.26 6.26 ChEMBL
μ OPRM Human Opioid A pKi 5.83 5.83 5.83 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 8.47 8.47 8.47 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
κ OPRK Human Opioid A pKi 5.83 5.83 5.83 PDSP Ki database
μ OPRM Human Opioid A pKi 5.83 5.83 5.83 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 8.47 8.47 8.47 PDSP Ki database
CB2 CNR2 Human Cannabinoid A pKi 6.26 6.26 6.26 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.03 7.03 7.03 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database