Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G3BY
|
|||
| Former ID |
DNC006474
|
|||
| Drug Name |
3-(3-cyano-1H-indol-6-yl)-1-methyl-1-phenylurea
|
|||
| Synonyms |
CHEMBL205328; 3-(3-cyano-1H-indol-6-yl)-1-methyl-1-phenylurea
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C17H14N4O
|
|||
| Canonical SMILES |
CN(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C(=CN3)C#N
|
|||
| 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)
|
|||
| InChIKey |
QBNNBKXETLRTHU-UHFFFAOYSA-N
|
|||
| 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. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.