CHEMBL437661


SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
InChIKey QYGITTKALAXEFT-XDPRFSKJSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 13
Rotatable bonds 24
Molecular weight (Da) 1193.6

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
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 5.72 5.72 5.72 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 8.33 8.33 8.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database