Drug Information

Drug General Information
Drug ID
D01VJT
Former ID
DNC010367
Drug Name
1-amino-2,4-bis(phenylthio)anthracene-9,10-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530650]
Structure
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2D MOL

3D MOL
Formula
C26H17NO2S2
Canonical SMILES
C1=CC=C(C=C1)SC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)SC5=<br />CC=CC=C5
InChI
1S/C26H17NO2S2/c27-24-21(31-17-11-5-2-6-12-17)15-20(30-16-9-3-1-4-10-16)22-23(24)26(29)19-14-8-7-13-18(19)25(22)28/h1-15H,27H2
InChIKey
XAJKSCYRAOFPAT-UHFFFAOYSA-N
PubChem Compound ID
3890693
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [530650]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholism
Pathway Interaction Database HIF-2-alpha transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and Adenosine
Reactome NGF-independant TRKA activation
Adenosine P1 receptors
G alpha (s) signalling events
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, Other
References
Ref 530650J Med Chem. 2010 Feb 25;53(4):1799-809.Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.
Ref 530650J Med Chem. 2010 Feb 25;53(4):1799-809.Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

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