devazepide


SMILES O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2
InChIKey NFHRQQKPEBFUJK-UHFFFAOYSA-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 6.47 6.52 6.57 ChEMBL
CCK2 GASR Rat Cholecystokinin A pKd 6.14 6.14 6.14 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pKi 9.15 9.5 9.83 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 6.77 7.38 8.43 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 7.98 9.12 10.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 6.8 6.8 6.8 Guide to Pharmacology
CCK1 CCKAR Rat Cholecystokinin A pIC50 9.72 9.72 9.72 Guide to Pharmacology
CCK2 GASR Rat Cholecystokinin A pIC50 5.96 6.09 6.16 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 5.43 6.91 7.51 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 8.08 9.47 10.1 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.43 6.43 6.77 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 9.31 9.84 10.1 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.42 5.42 5.42 ChEMBL
GLP-1 GLP1R Human Glucagon B1 pEC50 5.49 5.49 5.49 ChEMBL
FFA4 FFAR4 Human Free fatty acid A pEC50 5.36 5.36 5.36 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pIC50 6.57 6.57 6.57 ChEMBL