CHEMBL484900


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O
InChIKey BUGBHBGTCARRNY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 526.2

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 6.11 6.11 6.11 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.96 6.96 6.96 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.35 9.35 9.35 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.56 6.56 6.56 ChEMBL
A1 AA1R Human Adenosine A pKi 5.64 5.64 5.64 ChEMBL
A1 AA1R Human Adenosine A pKi 5.64 5.64 5.64 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.56 6.56 6.56 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.35 9.35 9.35 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 8.49 8.49 8.49 ChEMBL