CHEMBL448428


SMILES O=C(Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5
InChIKey JYDLEFHSJSZEPC-CSZVXOJQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 492.2

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 8.82 8.82 8.82 ChEMBL
κ OPRK Human Opioid A pKi 9.0 9.0 9.0 ChEMBL
μ OPRM Human Opioid A pKi 9.14 9.14 9.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.62 8.62 8.62 ChEMBL
κ OPRK Human Opioid A pIC50 8.95 8.95 8.95 ChEMBL
μ OPRM Human Opioid A pIC50 9.59 9.59 9.59 ChEMBL