CHEMBL1081812


SMILES O=C(Nc1ccc(-c2ccncc2)c(-c2ccco2)n1)C1CC1
InChIKey YMPAJVHRFFHIEA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 305.1

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
A3 AA3R Human Adenosine A pKi 5.87 5.87 5.87 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.52 7.52 7.52 ChEMBL
A1 AA1R Human Adenosine A pKi 7.09 7.09 7.09 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database