Buprenorphine


SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey RMRJXGBAOAMLHD-CTAPUXPBSA-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 No

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pEC50 8.44 8.44 8.44 ChEMBL
NOP OPRX Human Opioid A pKi 6.67 6.89 7.11 ChEMBL
NOP OPRX Human Opioid A pEC50 5.83 6.38 6.94 ChEMBL
δ OPRD Rat Opioid A pKi 9.32 9.32 9.32 ChEMBL
κ OPRK Guinea pig Opioid A pEC50 7.68 7.68 7.68 ChEMBL
κ OPRK Guinea pig Opioid A pKi 8.82 8.98 9.3 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 8.09 8.39 8.7 ChEMBL
μ OPRM Rat Opioid A pEC50 9.15 9.36 9.57 ChEMBL
μ OPRM Rat Opioid A pKi 9.72 9.83 9.89 ChEMBL
δ OPRD Human Opioid A pIC50 9.05 9.05 9.05 ChEMBL
δ OPRD Human Opioid A pKi 8.21 8.49 8.94 ChEMBL
κ OPRK Human Opioid A pIC50 7.82 8.37 8.92 ChEMBL
κ OPRK Human Opioid A pKi 8.6 9.54 10.4 ChEMBL
κ OPRK Human Opioid A pEC50 9.25 9.5 9.74 ChEMBL
μ OPRM Human Opioid A pIC50 8.77 9.0 9.23 ChEMBL
μ OPRM Human Opioid A pEC50 7.83 8.64 9.96 ChEMBL
μ OPRM Human Opioid A pKi 8.8 9.17 10.05 ChEMBL