CHEMBL458947


SMILES Cc1cc2c(c(C)c1O)c1ncccc1n2C
InChIKey HGIQNBUVVTWBSJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 0
Molecular weight (Da) 226.1

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 4.88 4.88 4.88 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.36 4.36 4.36 ChEMBL
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database