CHEMBL483065


SMILES CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O
InChIKey ODKIIRGGBWEQPE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 538.2

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
A2A AA2AR Rat Adenosine A pKi 6.36 6.36 6.36 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.57 6.57 6.57 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.06 9.06 9.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.99 6.99 6.99 ChEMBL
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.99 6.99 6.99 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.06 9.06 9.06 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 8.27 8.27 8.27 ChEMBL