CHEMBL381750


SMILES O=C(/C=C/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3
InChIKey JMSLPWMQABBNIP-SYTGOYKNSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 728.5

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 7.55 7.55 7.55 ChEMBL
κ OPRK Human Opioid A pKi 9.21 9.21 9.21 ChEMBL
μ OPRM Human Opioid A pKi 8.55 8.55 8.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.77 7.77 7.77 ChEMBL
μ OPRM Human Opioid A pEC50 7.72 7.72 7.72 ChEMBL