CHEMBL4286411


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

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 13
Rotatable bonds 34
Molecular weight (Da) 1086.4

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 pKd 7.34 7.34 7.34 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 8.41 8.41 8.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database