CHEMBL375412


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](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey LHFDBKUCTFELLO-WMRIFXDUSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 13
Rotatable bonds 30
Molecular weight (Da) 1033.5

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 5.03 5.03 5.03 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 5.0 5.0 5.0 ChEMBL
μ OPRM Rat Opioid A pKi 9.29 9.29 9.29 ChEMBL
δ OPRD Human Opioid A pKi 8.85 8.85 8.85 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 5.03 5.03 5.03 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 4.99 4.99 4.99 ChEMBL
μ OPRM Rat Opioid A pEC50 8.01 8.02 8.02 ChEMBL
μ OPRM Rat Opioid A pIC50 8.92 8.92 8.92 ChEMBL
δ OPRD Human Opioid A pEC50 8.03 8.03 8.03 ChEMBL
δ OPRD Human Opioid A pIC50 8.49 8.49 8.49 ChEMBL