CHEMBL2012675


SMILES O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCC3)nc(Cl)nc21
InChIKey FWCAXXBWEDQGJG-HNTFPEDGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 363.1

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
A1 AA1R Rat Adenosine A pKi 9.05 9.05 9.05 ChEMBL
A3 AA3R Human Adenosine A pKi 6.3 6.3 6.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.57 5.57 5.57 ChEMBL
A1 AA1R Human Adenosine A pKi 6.85 6.85 6.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database