Drug Information

Drug General Information
Drug ID
D02YQO
Former ID
DNC004411
Drug Name
SCH-442416
Drug Type
Small molecular drug
Indication Discovery agent Phase 1 [522117], [540246]
Structure
Download
2D MOL

3D MOL
Formula
C20H19N7O2
InChI
InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
InChIKey
AEULVFLPCJOBCE-UHFFFAOYSA-N
PubChem Compound ID
10668061
PubChem Substance ID
15700772, 22957973, 29215552, 40960041, 77737929, 85787661, 103375076, 103991936, 127396092, 134223394, 134341616, 135697652, 160830068, 162023455, 162223704, 163094382, 163394401, 163842836, 172873496, 178100324, 189614611, 204418666, 223532855, 227238107, 241070384, 249492309, 249820076, 252156533, 252160006, 252216283
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [531130]
Adenosine A2a receptor Target Info Inhibitor [525917]
Adenosine A1 receptor Target Info Inhibitor [525917]
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 Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-187024:NGF-independant TRKA activation
G alpha (s) signalling events
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
Monoamine Transport
NGF signalling via TRKA from the plasma membrane
GPCR ligand binding
GPCR downstream signaling
References
Ref 522117ClinicalTrials.gov (NCT00531193) Using PET Scans to Study Brain Receptor Occupancy of BIIB014 in Healthy Male Volunteers. U.S. National Institutes of Health.
Ref 540246(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3283).
Ref 525917J Med Chem. 2000 Nov 16;43(23):4359-62.Design, radiosynthesis, and biodistribution of a new potent and selective ligand for in vivo imaging of the adenosine A(2A) receptor system using positron emission tomography.
Ref 531130Bioorg Med Chem Lett. 2010 Oct 1;20(19):5690-4. Epub 2010 Aug 10.Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists.

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