Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09AED
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| Former ID |
DNC006289
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| Drug Name |
2-benzylisoquinoline-1,3,4-trione
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| Synonyms |
21640-35-7; 2-benzylisoquinoline-1,3,4-trione; 2-BENZYL-ISOQUINOLINE-1,3,4-TRIONE; CHEMBL382859; SCHEMBL13442853; Isoquinoline-1,3,4-trione 2c; BDBM10250; CTK4E7388; DTXSID80463477; ZINC13683129; AKOS015966149; FCH2821819; ACM21640357; 2-Benzylisoquinoline-1,3,4(2H)-trione; 2-Benzylisoquinoline-1,3,4(2H,4H)-trione; 1,3,4(2H)-Isoquinolinetrione,2-(phenylmethyl)-
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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 |
C16H11NO3
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| Canonical SMILES |
C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=O)C2=O
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| InChI |
1S/C16H11NO3/c18-14-12-8-4-5-9-13(12)15(19)17(16(14)20)10-11-6-2-1-3-7-11/h1-9H,10H2
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| InChIKey |
MCRWFXGWJMDFON-UHFFFAOYSA-N
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| CAS Number |
CAS 21640-35-7
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors. J Med Chem. 2006 Mar 9;49(5):1613-23. | |||
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