CHEMBL1834411


SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey GJLNONMXNYAOTE-MMLCPGSSSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 543.3

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 7.66 7.66 7.66 ChEMBL
δ OPRD Human Opioid A pKi 8.44 8.44 8.44 ChEMBL
κ OPRK Human Opioid A pKi 8.38 8.38 8.38 ChEMBL
μ OPRM Human Opioid A pKi 8.66 8.66 8.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 5.62 5.62 5.62 ChEMBL
δ OPRD Human Opioid A pEC50 5.47 5.47 5.47 ChEMBL
κ OPRK Human Opioid A pEC50 9.06 9.06 9.06 ChEMBL