Drug Information

Drug General Information
Drug ID
D00OFN
Former ID
DNC007098
Drug Name
4-(ethylthio)-6-phenyl-1,3,5-triazin-2-amine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528434]
Structure
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2D MOL

3D MOL
Formula
C11H12N4S
Canonical SMILES
CCSC1=NC(=NC(=N1)N)C2=CC=CC=C2
InChI
1S/C11H12N4S/c1-2-16-11-14-9(13-10(12)15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15)
InChIKey
UMHVGNHYSDRNNN-UHFFFAOYSA-N
PubChem Compound ID
44420099
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [528434]
Adenosine A1 receptor Target Info Inhibitor [528434]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholismhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Morphine addiction
NetPath Pathway TCR Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
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 metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
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 528434Bioorg Med Chem Lett. 2006 Dec 1;16(23):5993-7. Epub 2006 Sep 12.Identification of non-furan containing A2A antagonists using database mining and molecular similarity approaches.
Ref 528434Bioorg Med Chem Lett. 2006 Dec 1;16(23):5993-7. Epub 2006 Sep 12.Identification of non-furan containing A2A antagonists using database mining and molecular similarity approaches.

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