CHEMBL433697


SMILES O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3
InChIKey XZOSATCOBKLHCF-YPMSWROLSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 704.5

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 8.03 8.03 8.03 ChEMBL
κ OPRK Human Opioid A pKi 10.12 10.12 10.12 ChEMBL
μ OPRM Human Opioid A pKi 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.35 8.35 8.35 ChEMBL
μ OPRM Human Opioid A pIC50 6.77 6.77 6.77 ChEMBL
μ OPRM Human Opioid A pEC50 8.13 8.13 8.13 ChEMBL