CHEMBL413644


SMILES CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[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(=O)OC(C)(C)C)c2ccccc12)C(=O)O
InChIKey IYNMVGGOTRCWGJ-KSEFKAEUSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 12
Rotatable bonds 30
Molecular weight (Da) 1133.5

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 7.51 7.51 7.51 ChEMBL
δ OPRD Human Opioid A pKi 7.35 7.35 7.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.62 7.62 7.62 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.0 5.0 5.0 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 4.45 4.45 4.45 ChEMBL
μ OPRM Rat Opioid A pEC50 6.68 6.69 6.69 ChEMBL
μ OPRM Rat Opioid A pIC50 7.19 7.19 7.19 ChEMBL
δ OPRD Human Opioid A pEC50 7.13 7.13 7.13 ChEMBL
δ OPRD Human Opioid A pIC50 7.03 7.03 7.03 ChEMBL