Drug Information

Drug General Information
Drug ID
D0KM0Y
Former ID
DNC009525
Drug Name
2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL
Formula
C16H11N3S
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=CS3
InChI
1S/C16H11N3S/c17-10-13-12(11-5-2-1-3-6-11)9-14(19-16(13)18)15-7-4-8-20-15/h1-9H,(H2,18,19)
InChIKey
CMOAUWPKTBSUQT-UHFFFAOYSA-N
PubChem Compound ID
10423637
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [1]
Adenosine A1 receptor Target Info Inhibitor [1]
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 1J Med Chem. 2008 Aug 14;51(15):4449-55. Epub 2008 Jul 19.2-Amino-6-furan-2-yl-4-substituted nicotinonitriles as A2A adenosine receptor antagonists.

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