ibipinabant


SMILES CN=C(N1N=C([C@H](C1)c1ccccc1)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl
InChIKey AXJQVVLKUYCICH-OAQYLSRUSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 486.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 8.11 8.11 8.11 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 5.1 5.1 5.1 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 5.1 5.2 5.7 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 8.1 8.32 9.38 ChEMBL
CB1 CNR1 Human Cannabinoid A pKd 9.9 9.9 9.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pIC50 5.96 5.96 5.96 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 7.7 7.73 7.77 ChEMBL