CHEMBL217479


SMILES O=C(CCCc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5
InChIKey CPQPWWQOZGDNGK-QVDUQQMDSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 520.2

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
δ OPRD Human Opioid A pKi 8.41 8.41 8.41 ChEMBL
κ OPRK Human Opioid A pKi 8.53 8.53 8.53 ChEMBL
μ OPRM Human Opioid A pKi 8.87 8.87 8.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.86 8.86 8.86 ChEMBL
κ OPRK Human Opioid A pIC50 9.23 9.23 9.23 ChEMBL
μ OPRM Human Opioid A pIC50 9.06 9.06 9.06 ChEMBL