CHEMBL4640139


SMILES Oc1cccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)c1
InChIKey VAEVDYDNEAYIAT-RJKGWOMYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 586.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 8.08 8.08 8.08 ChEMBL
κ OPRK Human Opioid A pKi 7.74 7.74 7.74 ChEMBL
μ OPRM Human Opioid A pKi 7.89 7.89 7.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.89 8.89 8.89 ChEMBL
μ OPRM Human Opioid A pEC50 8.95 8.95 8.95 ChEMBL