CHEMBL2334775


SMILES C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1
InChIKey RIAOSVMITNWHAH-HFASDWQVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 640.3

Drug properties

Molecular type Small molecule
Endogenous/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 7.52 7.52 7.52 ChEMBL
κ OPRK Human Opioid A pKi 6.75 6.75 6.75 ChEMBL
μ OPRM Human Opioid A pKi 10.89 10.89 10.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pIC50 9.02 9.02 9.02 ChEMBL
δ OPRD Human Opioid A pEC50 7.33 7.33 7.33 ChEMBL