Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07VWC
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| Former ID |
DNC010387
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| Drug Name |
NSC-401077
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| Synonyms |
NSC401077; MLS000757170; DNA Methyltransferase Inhibitor; CHEMBL383475; NSC-401077; 32675-71-1; 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid; 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-indol-3-yl)propionic acid; SMR000413613; AC1Q71QA; Oprea1_475901; Oprea1_410805; MLS000777218; MLS006011919; SCHEMBL562060
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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 |
C19H14N2O4
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O
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| InChI |
1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)
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| InChIKey |
HPTXLHAHLXOAKV-UHFFFAOYSA-N
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| CAS Number |
CAS 32675-71-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | DNA [cytosine-5]-methyltransferase (DNMT) | Target Info | Inhibitor | [1] |
| DNA [cytosine-5]-methyltransferase 3B (DNMT3B) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Cysteine and methionine metabolism | |||
| Metabolic pathways | ||||
| MicroRNAs in cancer | ||||
| Reactome | PRC2 methylates histones and DNA | |||
| NoRC negatively regulates rRNA expression | ||||
| DNA methylation | ||||
| WikiPathways | Mesodermal Commitment Pathway | |||
| Endoderm Differentiation | ||||
| Trans-sulfuration and one carbon metabolism | ||||
| One Carbon Metabolism | ||||
| miR-targeted genes in lymphocytes - TarBase | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation. Bioorg Med Chem. 2010 Jan 15;18(2):822-9. | |||
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