Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0H1II
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| Former ID |
DNC006473
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| Drug Name |
1-(3-cyano-1-methyl-1H-indol-6-yl)-3-phenylurea
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| Synonyms |
CHEMBL333482; AC1LABSI; 1-(3-cyano-1-methyl-1H-indol-6-yl)-3-phenylurea; BDBM50133727; 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea; 1-(3-Cyano-1-methyl-1H-indol-6-yl)-3-phenyl-urea
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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 |
C17H14N4O
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| Canonical SMILES |
CN1C=C(C2=C1C=C(C=C2)NC(=O)NC3=CC=CC=C3)C#N
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| InChI |
1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22)
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| InChIKey |
DKHWZIZMXRFFLI-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett. 2006 May 1;16(9):2539-42. | |||
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