CHEMBL2048768


SMILES Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3
InChIKey ORKGKDBXZFOPEH-DKRHUIDYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 416.3

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 6.96 6.96 6.96 ChEMBL
κ OPRK Human Opioid A pKi 8.77 8.77 8.77 ChEMBL
μ OPRM Human Opioid A pKi 8.77 8.77 8.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.33 7.33 7.33 ChEMBL
μ OPRM Human Opioid A pEC50 7.42 7.42 7.42 ChEMBL
μ OPRM Human Opioid A pIC50 6.09 6.09 6.09 ChEMBL