CHEMBL1172428


SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey JMDKMESJXNSGPX-PVDMSZGWSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
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 6.75 6.75 6.75 ChEMBL
μ OPRM Rat Opioid A pKi 8.31 8.31 8.31 ChEMBL
δ OPRD Human Opioid A pKi 8.43 8.43 8.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.96 6.96 6.96 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.7 6.7 6.7 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 9.1 9.1 9.1 ChEMBL
μ OPRM Rat Opioid A pIC50 8.0 8.0 8.0 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 6.3 6.3 6.3 ChEMBL
δ OPRD Human Opioid A pIC50 8.1 8.1 8.1 ChEMBL