CHEMBL2048771


SMILES Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
InChIKey QSRWHYLXJPFUJI-VXQMPNGUSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 402.3

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 7.52 7.52 7.52 ChEMBL
κ OPRK Human Opioid A pKi 9.59 9.59 9.59 ChEMBL
μ OPRM Human Opioid A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.64 8.64 8.64 ChEMBL
μ OPRM Human Opioid A pEC50 8.06 8.06 8.06 ChEMBL
μ OPRM Human Opioid A pIC50 6.8 6.8 6.8 ChEMBL