CHEMBL412331


SMILES CCCC[C@@H](C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(=O)O)N(C(=O)Nc1ccccc1Cl)C(=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
InChIKey ZICGXQSIIFWORG-XXDIXCCXSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 11
Rotatable bonds 31
Molecular weight (Da) 1242.5

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
CCK2 GASR Human Cholecystokinin A pKi 5.77 5.77 5.77 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 6.0 6.0 6.0 ChEMBL
μ OPRM Rat Opioid A pKi 9.04 9.04 9.04 ChEMBL
δ OPRD Human Opioid A pKi 9.32 9.32 9.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.58 7.58 7.58 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.76 5.76 5.76 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.99 5.99 5.99 ChEMBL
μ OPRM Rat Opioid A pEC50 7.82 7.83 7.84 ChEMBL
μ OPRM Rat Opioid A pIC50 8.67 8.67 8.67 ChEMBL
δ OPRD Human Opioid A pIC50 8.95 8.95 8.95 ChEMBL
δ OPRD Human Opioid A pEC50 8.88 8.89 8.89 ChEMBL