CHEMBL1172244


SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey WVNNVFIQARDNCG-SXACLTSNSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 14
Rotatable bonds 39
Molecular weight (Da) 1380.7

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 6.8 6.8 6.8 ChEMBL
μ OPRM Rat Opioid A pKi 5.91 5.91 5.91 ChEMBL
δ OPRD Human Opioid A pKi 5.64 5.64 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.14 6.14 6.14 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.9 6.9 6.9 ChEMBL
μ OPRM Rat Opioid A pIC50 5.6 5.6 5.6 ChEMBL
δ OPRD Human Opioid A pIC50 5.3 5.3 5.3 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 6.4 6.44 6.47 ChEMBL