Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0F8QM
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| Former ID |
DIB016485
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| Drug Name |
FR-158999
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| Synonyms |
4-[4-(4-Amidinophenoxy)butyryl-L-aspartyl-L-valyl]thiomorpholine S,S-dioxide
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| Drug Type |
Small molecular drug
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| Indication | Thrombosis [ICD9: 437.6, 453, 671.5, 671.9; ICD10:I80-I82] | Discontinued in Phase 1 | [547007] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C24H35N5O8S
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CCCOc1ccc(cc1)C(=N<br />)N)C(=O)N2CCS(=O)(=O)CC2
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| InChI |
1S/C24H35N5O8S/c1-15(2)21(24(34)29-9-12-38(35,36)13-10-29)28-23(33)18(14-20(31)32)27-19(30)4-3-11-37-17-7-5-16(6-8-17)22(25)26/h5-8,15,18,21H,3-4,9-14H2,1-2H3,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)/t18-,21-/m0/s1
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| InChIKey |
FPOQHPVEVPIFME-RXVVDRJESA-N
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| CAS Number |
CAS 160138-41-0
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Glycoprotein IIb/IIIa receptor | Target Info | Antagonist | [551652], [551871] | |
| Reactome | Platelet degranulation | ||||
| Elastic fibre formation | |||||
| PECAM1 interactions | |||||
| Molecules associated with elastic fibres | |||||
| Integrin cell surface interactions | |||||
| Syndecan interactions | |||||
| ECM proteoglycans | |||||
| Integrin alphaIIb beta3 signaling | |||||
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |||||
| p130Cas linkage to MAPK signaling for integrins | |||||
| VEGFA-VEGFR2 Pathway | |||||
| MAP2K and MAPK activation | |||||
| References | |||||
| Ref 551652 | QSAR study of the peptidic fibrinogen inhibitors FK633, FR158999 and related derivatives, using a novel and useful hydrophobic descriptor (logPmw). Bioorganic & Medicinal Chemistry Letters Volume 8, Issue 18, 22 September 1998, Pages 2483-2488. | ||||
| Ref 551871 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | ||||
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