Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08FOV
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| Former ID |
DIB020427
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| Drug Name |
MRS2279
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| Synonyms |
LPZJKPSGEADHTQ-HLTSFMKQSA-N; [(1S,2R,4R)-4-[(2-chloro-6-methylaminopurin-9-yl)methyl]-2-(phosphonooxymethyl)cyclopentyl] dihydrogen phosphate; [3H]MRS2279; [3H]-MRS2279; AC1NSKE5; GTPL1727; GTPL1721; [(1R,2S,4R)-4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-2-phosphonooxycyclopentyl]methyl dihydrogen; MRS-2279
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C13H20ClN5O8P2
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| Canonical SMILES |
CNC1=C2C(=NC(=N1)Cl)N(C=N2)CC3CC(C(C3)OP(=O)(O)O)COP(=O)(O)O
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| InChI |
1S/C13H20ClN5O8P2/c1-15-11-10-12(18-13(14)17-11)19(6-16-10)4-7-2-8(5-26-28(20,21)22)9(3-7)27-29(23,24)25/h6-9H,2-5H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8-,9+/m1/s1
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| InChIKey |
LPZJKPSGEADHTQ-HLTSFMKQSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | P2Y purinoceptor 1 (P2RY1) | Target Info | Antagonist | [3] |
| 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 | Top | |||
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| REF 1 | URL: 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: 1727). | |||
| REF 2 | URL: 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: 1721). | |||
| REF 3 | Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist. Mol Pharmacol. 2002 Nov;62(5):1249-57. | |||
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