CHEMBL4278080


SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)C[Se]c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey QERWNQNUXMBYON-HECCNADXSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 12
Rotatable bonds 32
Molecular weight (Da) 1063.4

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 8.1 8.1 8.1 ChEMBL
CCK2 GASR Human Cholecystokinin A pKd 7.53 7.53 7.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database