Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0W4JI
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| Former ID |
DIB016111
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| Drug Name |
INS-50589
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| Synonyms |
Regrelor; UNII-Q6C8TY6SW1; Q6C8TY6SW1; CHEMBL1162175; INS-50589; 787548-03-2; Regrelor [INN]; GTPL1770; DTXSID80229272; INS 50589; BDBM50371580; [(2S,3aR,4R,6R,6aR)-6-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl dihydrogen phosphate
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| Drug Type |
Small molecular drug
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| Indication | Cardiovascular disease [ICD-11: BA00-BE2Z; ICD-10: I00-I99] | Phase 2 | [1], [2] | |
| Company |
Inspire Pharmaceuticals
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| Structure |
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Download2D MOL |
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| Formula |
C22H25N6O8P
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| Canonical SMILES |
CCNC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C4C(C(O3)COP(=O)(O)O)OC(O4)C=CC5=CC=CC=C5
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| InChI |
1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1
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| InChIKey |
NXHAXEBZOXCDKD-XIXRRVGJSA-N
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| CAS Number |
CAS 787548-03-2
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| PubChem Compound ID | ||||
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | P2Y purinoceptor 12 (P2RY12) | Target Info | Modulator | [3] |
| KEGG Pathway | Platelet activation | |||
| Reactome | P2Y receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| 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: 1770). | |||
| REF 2 | ClinicalTrials.gov (NCT00316212) Study of INS50589 Intravenous Infusion in Subjects Undergoing Coronary Artery Bypass Grafting (CABG) Involving Cardiopulmonary Bypass. U.S. National Institutes of Health. | |||
| REF 3 | Rapid and reversible modulation of platelet function in man by a novel P2Y(12) ADP-receptor antagonist, INS50589. Platelets. 2007 Aug;18(5):346-56. | |||
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