CHEMBL3617470


SMILES CCC(=O)N(c1ccccc1)C1CCN(Cc2cccc3c2CCC[C@H]3NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1
InChIKey ZDSCNXMYLDWNIC-KYOPYDKYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 20
Molecular weight (Da) 900.5

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
μ OPRM Rat Opioid A pKi 9.0 9.0 9.0 ChEMBL
δ OPRD Human Opioid A pKi 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.72 6.72 6.72 ChEMBL
μ OPRM Rat Opioid A pIC50 8.89 8.89 8.89 ChEMBL
δ OPRD Human Opioid A pIC50 7.14 7.14 7.14 ChEMBL