Drug Information

Drug General Information
Drug ID
D0W6TG
Former ID
DNC009733
Drug Name
PSB-09120
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530243]
Formula
C25H25F3N6O4S
Canonical SMILES
CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(<br />CC4)CC5=CC=C(C=C5)C(F)(F)F
InChI
1S/C25H25F3N6O4S/c1-2-34-23(35)20-22(31-24(34)36)30-21(29-20)17-5-9-19(10-6-17)39(37,38)33-13-11-32(12-14-33)15-16-3-7-18(8-4-16)25(26,27)28/h3-10H,2,11-15H2,1H3,(H,29,30)(H,31,36)
InChIKey
PGUVAKMIEAFDEA-UHFFFAOYSA-N
PubChem Compound ID
44186666
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [530243]
Adenosine A2b receptor Target Info Inhibitor [530243]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholismhsa04015:Rap1 signaling pathway
Alcoholism
NetPath Pathway TGF_beta_Receptor Signaling Pathway
TCR Signaling Pathway
Pathway Interaction Database HIF-2-alpha transcription factor networkcmyb_pathway:C-MYB transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and AdenosinePW000446:Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome NGF-independant TRKA activation
Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
Surfactant metabolism
WikiPathways Nucleotide GPCRs
Monoamine Transport
GPCRs, Class A Rhodopsin-like
NGF signalling via TRKA from the plasma membrane
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP80:Nucleotide GPCRs
References
Ref 530243J Med Chem. 2009 Jul 9;52(13):3994-4006.1-alkyl-8-(piperazine-1-sulfonyl)phenylxanthines: development and characterization of adenosine A2B receptor antagonists and a new radioligand with subnanomolar affinity and subtype specificity.
Ref 530243J Med Chem. 2009 Jul 9;52(13):3994-4006.1-alkyl-8-(piperazine-1-sulfonyl)phenylxanthines: development and characterization of adenosine A2B receptor antagonists and a new radioligand with subnanomolar affinity and subtype specificity.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Tang and Dr. Zhang.