CHEMBL582930


SMILES CC(CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3
InChIKey BCNHLLUBXGJPDY-YURXEMDDSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 15
Molecular weight (Da) 816.6

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 7.43 7.43 7.43 ChEMBL
κ OPRK Human Opioid A pKi 9.21 9.21 9.21 ChEMBL
μ OPRM Human Opioid A pKi 9.02 9.02 9.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.14 8.14 8.14 ChEMBL
μ OPRM Human Opioid A pIC50 6.85 6.85 6.85 ChEMBL
μ OPRM Human Opioid A pEC50 8.15 8.15 8.15 ChEMBL