CHEMBL4641670


SMILES Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Br)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey IFSRJMZEFUIGLT-RJKGWOMYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 648.2

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 7.68 7.68 7.68 ChEMBL
κ OPRK Human Opioid A pKi 7.12 7.12 7.12 ChEMBL
μ OPRM Human Opioid A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.26 8.26 8.26 ChEMBL
μ OPRM Human Opioid A pEC50 7.58 7.58 7.58 ChEMBL