Drug General Information
Drug ID
D08BXO
Former ID
DIB020443
Drug Name
MRS2950
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541129]
Structure
Download
2D MOL
Formula
C20H20Cl2N4O2S
InChI
InChI=1S/C20H20Cl2N4O2S/c1-12-13(2)25-28-19(12)26-29(3,4)16-8-5-14(6-9-16)23-20(27)24-15-7-10-17(21)18(22)11-15/h5-11,26H,3-4H2,1-2H3,(H2,23,24,27)
InChIKey
ZRNSPTWPSVBOTC-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) P2Y purinoceptor 1 Target Info Antagonist [531978]
KEGG Pathway Rap1 signaling pathway
Neuroactive ligand-receptor interaction
Platelet activation
Reactome G alpha (q) signalling events
P2Y receptors
ADP signalling through P2Y purinoceptor 1
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Signal amplification
GPCR ligand binding
GPCR downstream signaling
References
Ref 541129(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: 5809).
Ref 531978Virtual screening leads to the discovery of novel non-nucleotide P2Y??receptor antagonists. Bioorg Med Chem. 2012 Sep 1;20(17):5254-61.

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