DEVAZEPIDE


SMILES CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
InChIKey NFHRQQKPEBFUJK-HSZRJFAPSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 408.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7F8Y

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Rat Cholecystokinin A pKi 6.57 6.57 6.57 ChEMBL
CCK2 GASR Rat Cholecystokinin A pKd 6.14 6.14 6.14 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pKi 9.15 9.49 9.83 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 7.06 7.5 8.43 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 8.74 9.69 10.63 ChEMBL
CCK2 GASR Rat Cholecystokinin A pKi 9.52 9.52 9.52 PDSP Ki database
CCK2 GASR Mouse Cholecystokinin A pKi 10.0 10.0 10.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Rat Cholecystokinin A pIC50 5.96 6.09 6.16 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.57 7.28 7.51 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pIC50 6.57 6.57 6.57 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 8.1 9.78 10.1 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.52 6.62 6.77 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 9.31 9.84 10.1 ChEMBL