taranabant


SMILES N#Cc1cccc(c1)[C@@H]([C@@H](NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl
InChIKey QLYKJCMUNUWAGO-GAJHUEQPSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 515.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 5U09

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 9.52 9.52 9.52 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 6.54 6.54 6.54 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 6.54 6.54 6.54 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pIC50 5.93 6.39 6.54 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 8.62 8.62 8.62 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 7.66 9.15 10.03 ChEMBL