Drug Information
Drug General Information | Top | |||
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Drug ID |
D07EXV
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Former ID |
DNC003905
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Drug Name |
XEMILOFIBAN
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Synonyms |
Xemilofiban; Xemilofiban [INN]; 149820-74-6; UNII-P614JI3IYK; SC-54684A; SC 54684A; P614JI3IYK; SC-54684; CHEMBL76098; Ethyl-3S-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-4-pentynoate; C18H22N4O4; 4-Pentynoic acid, 3-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-, ethyl ester, (S)-; CS-551; AC1Q5MFX; AC1L1U8F; SCHEMBL50663; DTXSID60164410; ZINC1535967; BDBM50083460; KB-81502; LS-102305; ethyl(3s)-3-[3-[(p-amidinophenyl)carbamoyl]propionamido]-4-pentynoate
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Drug Type |
Small molecular drug
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Indication | Cardiovascular disease [ICD-11: BA00-BE2Z] | Discontinued in Phase 3 | [1] | |
Peripheral vascular disease [ICD-11: BD4Z; ICD-10: I73.9; ICD-9: 443.9] | Discontinued in Phase 3 | [2] | ||
Structure |
Download2D MOL |
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Formula |
C18H22N4O4
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Canonical SMILES |
CCOC(=O)CC(C#C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N
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InChI |
1S/C18H22N4O4/c1-3-13(11-17(25)26-4-2)21-15(23)9-10-16(24)22-14-7-5-12(6-8-14)18(19)20/h1,5-8,13H,4,9-11H2,2H3,(H3,19,20)(H,21,23)(H,22,24)/t13-/m1/s1
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InChIKey |
ZHCINJQZDFCSEL-CYBMUJFWSA-N
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CAS Number |
CAS 149820-74-6
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PubChem Compound ID |
References | Top | |||
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REF 1 | Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.Nat Rev Drug Discov. 2016 Aug;15(8):533-50. | |||
REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004434) | |||
REF 3 | Glycoprotein IIb/IIIa receptor number and occupancy during chronic administration of an oral antagonist. J Pharmacol Exp Ther. 2000 Nov;295(2):670-6. | |||
REF 4 | Acute thrombocytopenia in patients treated with the oral glycoprotein IIb/IIIa inhibitors xemilofiban and orbofiban: evidence for an immune etiology. Thromb Haemost. 2002 Dec;88(6):892-7. | |||
REF 5 | Potent, orally active GPIIb/IIIa antagonists containing a nipecotic acid subunit. Structure-activity studies leading to the discovery of RWJ-53308. J Med Chem. 1999 Dec 16;42(25):5254-65. |
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