CHEMBL438739


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(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)O
InChIKey VEGZKBKISJJLJC-FCVZMFCYSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 12
Rotatable bonds 31
Molecular weight (Da) 1211.6

Drug properties

Molecular type Small molecule
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 7.8 7.8 7.8 ChEMBL
δ OPRD Human Opioid A pKi 8.47 8.47 8.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 6.03 6.03 6.03 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.08 7.08 7.08 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 6.24 6.24 6.24 ChEMBL
μ OPRM Rat Opioid A pEC50 6.62 6.62 6.62 ChEMBL
μ OPRM Rat Opioid A pIC50 7.43 7.43 7.43 ChEMBL
δ OPRD Human Opioid A pEC50 8.25 8.25 8.25 ChEMBL
δ OPRD Human Opioid A pIC50 8.11 8.11 8.11 ChEMBL