CHEMBL2347237


SMILES C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccn5)cc4)cc3[C@@]1(C)CCN2CC1CC1
InChIKey WHUMNYJAAHSBSQ-WTBOZYSNSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 479.3

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 8.04 8.04 8.04 ChEMBL
κ OPRK Human Opioid A pKi 8.48 8.48 8.48 ChEMBL
μ OPRM Human Opioid A pKi 9.48 9.48 9.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.59 8.59 8.59 ChEMBL
μ OPRM Human Opioid A pIC50 6.82 6.82 6.82 ChEMBL
μ OPRM Human Opioid A pEC50 8.77 8.77 8.77 ChEMBL