CHEMBL51192


SMILES CCC(O)(C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1)CC
InChIKey NPLLJKJORHIIMF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 353.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.89 7.89 7.89 ChEMBL
A1 AA1R Human Adenosine A pKi 7.54 7.54 7.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Rat Adenosine A pIC50 6.27 6.27 6.27 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.85 6.85 6.85 ChEMBL