CHEMBL408889


SMILES CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O
InChIKey DZRXMQMULMXHKQ-GDYSDZBQSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 30
Molecular weight (Da) 1089.5

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
μ OPRM Rat Opioid A pKi 8.28 8.28 8.28 ChEMBL
δ OPRD Human Opioid A pKi 8.28 8.28 8.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.29 8.29 8.29 ChEMBL
μ OPRM Rat Opioid A pEC50 8.28 8.29 8.29 ChEMBL
μ OPRM Rat Opioid A pIC50 7.96 7.96 7.96 ChEMBL
δ OPRD Human Opioid A pIC50 7.97 7.97 7.97 ChEMBL
δ OPRD Human Opioid A pEC50 9.28 9.28 9.28 ChEMBL