CHEMBL191014


SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey VAQGZHWWAOIWTA-ARAVYLIXSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 495.2

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 5.32 5.32 5.32 ChEMBL
κ OPRK Human Opioid A pKi 5.71 5.71 5.71 ChEMBL
μ OPRM Human Opioid A pKi 7.14 7.14 7.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 5.24 5.24 5.24 ChEMBL
μ OPRM Human Opioid A pEC50 5.68 5.68 5.68 ChEMBL