CHEMBL490607


SMILES O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc21
InChIKey BOTLKWAQAFJQRW-KFXXHRTLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 421.1

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 8.85 8.85 8.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.82 5.82 5.82 ChEMBL
A1 AA1R Human Adenosine A pKi 5.95 5.95 5.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database