CHEMBL136096


SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
InChIKey VKQFOQPJMZAWSM-RLMIVUACSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 9
Rotatable bonds 28
Molecular weight (Da) 1012.3

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 Rat Cholecystokinin A pKi 7.08 7.08 7.08 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pKi 9.01 9.01 9.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database