Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D06FSR
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| Former ID |
DNC006459
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| Drug Name |
1-methyl-1H-indole-3-carbonitrile
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| Synonyms |
1-Methyl-1H-indole-3-carbonitrile; 24662-37-1; 1-methylindole-3-carbonitrile; 3-Cyano-1-methylindole; 1H-Indole-3-carbonitrile, 1-methyl-; 1H-Indole-3-carbonitrile,1-methyl-; CHEMBL205035; F9995-1129; AC1M4H5X; SCHEMBL1778037; 3-Cyano(1-methyl-1H-indole); CTK4F4137; FBAXZPMXGBNBPE-UHFFFAOYSA-; DTXSID30367996; MolPort-000-002-609; FBAXZPMXGBNBPE-UHFFFAOYSA-N; HMS1753J21; ZINC3165608; BDBM50182877; STK386450; MFCD00466602; AKOS001015339; MCULE-7170650231; AS-9400; AJ-44684; KB-12784; DA-07730; ST50875554; AM20040004; FT-0719960
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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 |
C10H8N2
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| Canonical SMILES |
CN1C=C(C2=CC=CC=C21)C#N
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| InChI |
1S/C10H8N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,1H3
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| InChIKey |
FBAXZPMXGBNBPE-UHFFFAOYSA-N
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| CAS Number |
CAS 24662-37-1
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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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