Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05IQL
|
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| Former ID |
DNC009727
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| Drug Name |
Methyl 2-(Benzylamino)-1H-indole-3-carboxylate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C17H16N2O2
|
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| Canonical SMILES |
COC(=O)C1=C(NC2=CC=CC=C21)NCC3=CC=CC=C3
|
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| InChI |
1S/C17H16N2O2/c1-21-17(20)15-13-9-5-6-10-14(13)19-16(15)18-11-12-7-3-2-4-8-12/h2-10,18-19H,11H2,1H3
|
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| InChIKey |
TWNCELFDSJZJAX-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | mRNA of human 5-lipoxygenase | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Aspirin-triggered lipoxin biosynthesis | ||||
| Resolvin D biosynthesis | |||||
| Leukotriene biosynthesis | |||||
| Lipoxin biosynthesis | |||||
| Aspirin triggered resolvin D biosynthesis | |||||
| Aspirin triggered resolvin E biosynthesis | |||||
| KEGG Pathway | Arachidonic acid metabolism | ||||
| Metabolic pathways | |||||
| Serotonergic synapse | |||||
| Ovarian steroidogenesis | |||||
| Toxoplasmosis | |||||
| NetPath Pathway | IL4 Signaling Pathway | ||||
| PathWhiz Pathway | Arachidonic Acid Metabolism | ||||
| WikiPathways | Arachidonic acid metabolism | ||||
| Eicosanoid Synthesis | |||||
| Selenium Micronutrient Network | |||||
| References | |||||
| REF 1 | J Med Chem. 2009 Jun 11;52(11):3474-83.Structural optimization and biological evaluation of 2-substituted 5-hydroxyindole-3-carboxylates as potent inhibitors of human 5-lipoxygenase. | ||||
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