Chembl4795517


SMILES CO[C@@]12CC[C@@H](N[C@@H](C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey UMHAMCDXTRRVPX-AVPDZUQNSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 416.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Rat Opioid A pKi 8.78 8.78 8.78 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.8 6.8 6.8 ChEMBL
μ OPRM Rat Opioid A pKi 8.99 8.99 8.99 ChEMBL
δ OPRD Human Opioid A pEC50 8.89 8.89 8.89 ChEMBL
κ OPRK Human Opioid A pEC50 5.89 5.89 5.89 ChEMBL
μ OPRM Human Opioid A pEC50 8.62 8.62 8.62 ChEMBL