CHEMBL369919


SMILES O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3
InChIKey XPVQMCQVPCFYJK-LHQHLCNUSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 15
Molecular weight (Da) 820.5

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
κ OPRK Human Opioid A pKi 8.92 8.92 8.92 ChEMBL
μ OPRM Human Opioid A pKi 9.17 9.17 9.17 ChEMBL
δ OPRD Human Opioid A pKi 8.08 8.08 8.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.06 8.06 8.06 ChEMBL
μ OPRM Human Opioid A pIC50 6.44 6.44 6.44 ChEMBL
μ OPRM Human Opioid A pEC50 7.92 7.92 7.92 ChEMBL