CHEMBL49925


SMILES Cn1c(-c2cccc(C#N)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21
InChIKey KEDWXTLTOUMRQH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 372.2

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
A2A AA2AR Human Adenosine A pKi 7.89 7.89 7.89 ChEMBL
A1 AA1R Human Adenosine A pKi 6.89 6.89 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Rat Adenosine A pIC50 6.39 6.39 6.39 ChEMBL
A2B AA2BR Human Adenosine A pIC50 7.14 7.14 7.14 ChEMBL