Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0G3BY
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| Former ID |
DNC006474
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| Drug Name |
3-(3-cyano-1H-indol-6-yl)-1-methyl-1-phenylurea
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C17H14N4O
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| Canonical SMILES |
CN(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C(=CN3)C#N
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| InChI |
1S/C17H14N4O/c1-21(14-5-3-2-4-6-14)17(22)20-13-7-8-15-12(10-18)11-19-16(15)9-13/h2-9,11,19H,1H3,(H,20,22)
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| InChIKey |
QBNNBKXETLRTHU-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Inosine-5'-monophosphate dehydrogenase 2 | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Purine nucleotides degradation | ||||
| Urate biosynthesis/inosine 5'-phosphate degradation | |||||
| Guanosine nucleotides de novo biosynthesis | |||||
| Superpathway of purine nucleotide salvage | |||||
| Purine nucleotides de novo biosynthesis | |||||
| Guanosine ribonucleotides de novo biosynthesis | |||||
| KEGG Pathway | Purine metabolism | ||||
| Drug metabolism - other enzymes | |||||
| Metabolic pathways | |||||
| PANTHER Pathway | De novo purine biosynthesis | ||||
| Reactome | Purine ribonucleoside monophosphate biosynthesis | ||||
| References | |||||
| REF 1 | Bioorg Med Chem Lett. 2006 May 1;16(9):2539-42. Epub 2006 Feb 17.Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. | ||||
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