PBF-509

Ligand id: 10193

Name: PBF-509

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 86.4
Molecular weight 305
XLogP 2.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
Synonyms
PBF509
Comments
PBF-509 is an adenosine A2A receptor antagonist that is being developed by Palobiofarma [2-3]. It is being considered for clinical potential as an immuno-onclogy adjunctive agent and as a treatment for movement disorder in Parkinson's disease patients. Although the chemical structure of PBF-509 has not been formally disclosed, a comparision of published data and Palobiofarma patent documents leads us to consider Example 1 from WO2011121418A1 [1] as a likely candidate for this antagonist (binding and functional data values in the patent match data published in the peer reviewed articles that describe PBF-509). We await full disclosure to be certain of our decision.
Database Links
BindingDB Ligand 128295
ChEMBL Ligand CHEMBL3638684
GtoPdb PubChem SID 381118903
PubChem CID 53466958
Search Google for chemical match using the InChIKey ATFXVNUWQOXRRU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ATFXVNUWQOXRRU
Search UniChem for chemical match using the InChIKey ATFXVNUWQOXRRU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ATFXVNUWQOXRRU