Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0N8TA
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| Former ID |
DNC000145
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| Drug Name |
Acetyl-Ile-Glu-Thr-Asp-aldehyde
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| Synonyms |
Ac-IETD-CHO; 191338-86-0; CHEMBL478695; Ac-Ile-Glu-Thr-Asp-CHO; SCHEMBL20257131; N-acetyl-Ile-Glu-Thr-Asp-aldehyde; ZINC14947181; BDBM50340547; Acetyl-isoleucyl-glutamyl-threonyl-aspartal; 338A860; N-Acetyl-Ile-Glu-Thr-Asp-al, ~99% (TLC), powder; (4S)-4-{[(1S,2R)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S,3S)-2-acetamido-3-methylpentanamido]butanoic acid
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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 |
C21H34N4O10
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C=O)NC(=O)C
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| InChI |
1S/C21H34N4O10/c1-5-10(2)17(22-12(4)28)20(34)24-14(6-7-15(29)30)19(33)25-18(11(3)27)21(35)23-13(9-26)8-16(31)32/h9-11,13-14,17-18,27H,5-8H2,1-4H3,(H,22,28)(H,23,35)(H,24,34)(H,25,33)(H,29,30)(H,31,32)/t10-,11+,13-,14-,17-,18-/m0/s1
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| InChIKey |
AXTKTZHLZLOIIO-PBEPODTISA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The atomic-resolution structure of human caspase-8, a key activator of apoptosis. Structure. 1999 Sep 15;7(9):1135-43. | |||
| REF 2 | Synthesis and in vitro evaluation of sulfonamide isatin Michael acceptors as small molecule inhibitors of caspase-6. J Med Chem. 2009 Apr 23;52(8):2188-91. | |||
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