CHEMBL486479


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O
InChIKey RHBLXAUMNGSRMA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 576.2

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 5.81 5.81 5.81 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.33 6.33 6.33 ChEMBL
A2B AA2BR Human Adenosine A pKi 9.52 9.52 9.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.84 6.84 6.84 ChEMBL
A1 AA1R Human Adenosine A pKi 5.25 5.25 5.25 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.84 6.84 6.84 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 9.52 9.52 9.52 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.25 5.25 5.25 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 8.79 8.79 8.79 ChEMBL