CHEMBL189192


SMILES Cn1nc(C(F)(F)F)c(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1Cl
InChIKey BTPRCXIXYZWERG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 482.1

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 Rat Adenosine A pKi 7.85 7.85 7.85 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.96 5.96 5.96 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.55 4.55 4.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.0 7.0 7.0 ChEMBL
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database