CHEMBL1172246


SMILES N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC1=O
InChIKey YCEIOOXEUSAMIZ-RUJSPISNSA-N

Chemical properties

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

Drug properties

Molecular type Protein
Endogenous/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 6.03 6.03 6.03 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 6.25 6.25 6.25 ChEMBL
μ OPRM Rat Opioid A pKi 5.68 5.68 5.68 ChEMBL
δ OPRD Human Opioid A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 6.0 6.0 6.0 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 6.9 6.9 6.9 ChEMBL
μ OPRM Rat Opioid A pIC50 5.4 5.4 5.4 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 7.5 7.5 7.5 ChEMBL
δ OPRD Human Opioid A pIC50 5.6 5.6 5.6 ChEMBL