Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0L9AX
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| Former ID |
DNC009146
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| Drug Name |
Ac-DEVD-CHO
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| Synonyms |
169332-60-9; Caspase-3 Inhibitor I; N-acetyl-asp-glu-val-asp-al; acetyl-aspartyl-glutamyl-valyl-aspartal; Ac-Asp-Glu-Val-Asp-Aldehyde; AC-ASP-GLU-VAL-ASP-H; CHEMBL417149; CHEBI:59385; 184179-08-6; (4S,7S,10S,13S)-7-(2-carboxyethyl)-4-(carboxymethyl)-13-formyl-10-isopropyl-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid; acetyl-Asp-Glu-Val-Asp-aldehyde; acetyl-Asp-Glu-Val-Asp aldehyde; N-acetyl-Asp-Glu-Val-Asp aldehyde; N-acetyl-Asp-Glu-Val-Asp-aldehyde
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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 |
C20H30N4O11
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| Canonical SMILES |
CC(C)C(C(=O)NC(CC(=O)O)C=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C
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| InChI |
1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1
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| InChIKey |
UMBVAPCONCILTL-MRHIQRDNSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:59385
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| References | Top | |||
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| 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: 6527). | |||
| REF 2 | Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study. Eur J Med Chem. 2010 Sep;45(9):3858-63. | |||
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