CHEMBL482648


SMILES CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O
InChIKey OIWHCIKNHXITSN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 524.2

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 6.04 6.04 6.04 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.45 6.45 6.45 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.92 8.92 8.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.63 6.63 6.63 ChEMBL
A1 AA1R Human Adenosine A pKi 5.42 5.42 5.42 ChEMBL
A1 AA1R Human Adenosine A pKi 5.42 5.42 5.42 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.63 6.63 6.63 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 8.92 8.92 8.92 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 8.28 8.28 8.28 ChEMBL