YF-476


SMILES CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2
InChIKey YDZYKNJZCVIKPP-VWLOTQADSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 498.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pKi 9.6 9.6 9.6 Guide to Pharmacology
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 6.4 6.4 6.4 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 7.5 7.52 7.54 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 9.86 9.94 10.1 ChEMBL
CCK2 GASR Rat Cholecystokinin A pKd 10.1 10.1 10.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 9.7 9.7 9.7 Guide to Pharmacology
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.9 6.9 6.9 Guide to Pharmacology
CCK2 GASR Rat Cholecystokinin A pIC50 10.0 10.0 10.0 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.3 6.3 6.3 ChEMBL