CHEMBL1834413


SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey KMMPJTLXSZEWDK-VAZJWBNESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 519.3

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
NOP OPRX Human Opioid A pKi 7.8 7.8 7.8 ChEMBL
δ OPRD Human Opioid A pKi 8.15 8.15 8.15 ChEMBL
κ OPRK Human Opioid A pKi 8.01 8.01 8.01 ChEMBL
μ OPRM Human Opioid A pKi 7.94 7.94 7.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 6.96 6.96 6.96 ChEMBL
δ OPRD Human Opioid A pEC50 7.31 7.31 7.31 ChEMBL
κ OPRK Human Opioid A pEC50 8.27 8.27 8.27 ChEMBL
μ OPRM Human Opioid A pEC50 8.21 8.21 8.21 ChEMBL