CHEMBL484899


SMILES CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O
InChIKey GLENVIZFDNPZHM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 512.2

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 6.41 6.41 6.41 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.45 6.45 6.45 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.16 9.16 9.16 ChEMBL
A3 AA3R Human Adenosine A pKi 5.24 5.24 5.24 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.84 6.84 6.84 ChEMBL
A1 AA1R Human Adenosine A pKi 5.68 5.68 5.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.84 6.84 6.84 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.16 9.16 9.16 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.24 5.24 5.24 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.68 5.68 5.68 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database