Drug Information

Drug General Information
Drug ID
D03ERS
Former ID
DIB020431
Drug Name
MRS2500
Synonyms
MRS-2500; MRS 2500
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539076]
Formula
C13H18IN5O8P2
InChI
InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
InChIKey
NMVWLEUONAKGCD-SMWKGLLFSA-N
PubChem Compound ID
44448831
PubChem Substance ID
103563603, 135650659, 160852427
Target and Pathway
Target(s) P2Y purinoceptor 1 Target Info Antagonist [526866]
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 539076(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: 1724).
Ref 5268662-Substitution of adenine nucleotide analogues containing a bicyclo[3.1.0]hexane ring system locked in a northern conformation: enhanced potency as P2Y1 receptor antagonists. J Med Chem. 2003 Nov 6;46(23):4974-87.

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