PBF-509


SMILES Nc1nc(nc(c1Br)n1cccn1)n1cccn1
InChIKey ATFXVNUWQOXRRU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 305.0

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 Human Adenosine A pKi 7.76 7.76 7.76 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A3 AA3R Human Adenosine A pKi 5.3 5.3 5.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.3 7.69 7.92 ChEMBL
A1 AA1R Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.17 6.17 6.17 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.6 7.92 8.25 ChEMBL