CHEMBL217710


SMILES O=C(C/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5
InChIKey RTHVXJQJBKWTIT-YIEUXPRJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 518.2

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 8.49 8.49 8.49 ChEMBL
κ OPRK Human Opioid A pKi 8.31 8.31 8.31 ChEMBL
μ OPRM Human Opioid A pKi 8.73 8.73 8.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.77 8.77 8.77 ChEMBL
κ OPRK Human Opioid A pIC50 7.86 7.86 7.86 ChEMBL
μ OPRM Human Opioid A pIC50 8.73 8.73 8.73 ChEMBL