CHEMBL4633209


SMILES Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey JNDGZJLJIXVGLF-RJKGWOMYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 570.3

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 7.71 7.71 7.71 ChEMBL
κ OPRK Human Opioid A pKi 6.88 6.88 6.88 ChEMBL
μ OPRM Human Opioid A pKi 7.64 7.64 7.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 9.03 9.03 9.03 ChEMBL
μ OPRM Human Opioid A pEC50 8.9 8.9 8.9 ChEMBL