CHEMBL3314879


SMILES CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12
InChIKey KREPMYGREGKWTJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 376.1

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
A2B AA2BR Human Adenosine A pKi 5.32 5.32 5.32 ChEMBL
A3 AA3R Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.91 7.91 7.91 ChEMBL
A1 AA1R Human Adenosine A pKi 6.53 6.53 6.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database