CHEMBL4648920


SMILES CN(C)Cc1ccccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5
InChIKey VBHIKBZBHGDIER-YLLCFIMHSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 627.3

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 7.85 7.85 7.85 ChEMBL
κ OPRK Human Opioid A pKi 7.64 7.64 7.64 ChEMBL
μ OPRM Human Opioid A pKi 7.25 7.25 7.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.93 7.93 7.93 ChEMBL
μ OPRM Human Opioid A pEC50 7.54 7.54 7.54 ChEMBL