CHEMBL442483


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](Cc1cn(C(C)=O)c2ccccc12)C(=O)O
InChIKey RBNPCZIQGBMFDV-FPWNPRTMSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 30
Molecular weight (Da) 1075.5

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 5.89 5.89 5.89 ChEMBL
μ OPRM Rat Opioid A pKi 7.58 7.58 7.58 ChEMBL
δ OPRD Human Opioid A pKi 7.64 7.64 7.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.44 7.44 7.44 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.88 5.88 5.88 ChEMBL
μ OPRM Rat Opioid A pIC50 7.21 7.21 7.21 ChEMBL
μ OPRM Rat Opioid A pEC50 7.12 7.12 7.12 ChEMBL
δ OPRD Human Opioid A pEC50 7.26 7.26 7.27 ChEMBL
δ OPRD Human Opioid A pIC50 7.27 7.27 7.27 ChEMBL