Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08BXO
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| Former ID |
DIB020443
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| Drug Name |
MRS2950
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| Synonyms |
MRS2950; GTPL5809
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C20H20Cl2N4O2S
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| Canonical SMILES |
CC1=C(ON=C1C)NS(=C)(=C)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
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| 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)
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| InChIKey |
ZRNSPTWPSVBOTC-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | P2Y purinoceptor 1 (P2RY1) | Target Info | Antagonist | [2] |
| 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 | |||
|---|---|---|---|---|
| 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: 5809). | |||
| REF 2 | Virtual 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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