buprenorphine


SMILES CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(C)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O
InChIKey RMRJXGBAOAMLHD-IHFGGWKQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 467.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 6.8 6.86 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Rat Cannabinoid A pEC50 6.62 7.54 7.77 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 5.92 6.7 8.09 ChEMBL
CB1 CNR1 Mouse Cannabinoid A pEC50 6.03 6.03 6.03 ChEMBL