CHEMBL374325


SMILES CCCC[C@@H](C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O)N(C)C(=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
InChIKey CHVZZDMXXHMJNM-BPYPMLAUSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 11
Rotatable bonds 30
Molecular weight (Da) 1147.5

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 5.82 5.82 5.82 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 5.72 5.72 5.72 ChEMBL
μ OPRM Rat Opioid A pKi 7.7 7.7 7.7 ChEMBL
δ OPRD Human Opioid A pKi 9.09 9.09 9.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.38 7.38 7.38 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.81 5.81 5.81 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.72 5.72 5.72 ChEMBL
μ OPRM Rat Opioid A pIC50 7.32 7.32 7.32 ChEMBL
μ OPRM Rat Opioid A pEC50 9.19 9.19 9.19 ChEMBL
δ OPRD Human Opioid A pEC50 7.58 7.59 7.6 ChEMBL
δ OPRD Human Opioid A pIC50 8.7 8.7 8.7 ChEMBL