CHEMBL602950


SMILES O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccco1
InChIKey MLQXWMXBRZGYCZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 408.0

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
A1 AA1R Rat Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A3 AA3R Human Adenosine A pKi 6.21 6.21 6.21 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.21 6.21 6.21 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database