Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06MUL
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| Former ID |
DNC006075
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| Drug Name |
N-[2-(Indol-3-yl)ethyl]-S-benzyl-dithiocarbamate
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| Synonyms |
CHEMBL202881
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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 |
C18H18N2S2
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| Canonical SMILES |
C1=CC=C(C=C1)CSC(=S)NCCC2=CC3=CC=CC=C3N2
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| InChI |
1S/C18H18N2S2/c21-18(22-13-14-6-2-1-3-7-14)19-11-10-16-12-15-8-4-5-9-17(15)20-16/h1-9,12,20H,10-11,13H2,(H,19,21)
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| InChIKey |
UDMBZULQHCKYPT-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Indoleamine 2,3-dioxygenase 1 (IDO1) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of tryptophan utilization | |||
| Tryptophan degradation | ||||
| L-kynurenine degradation | ||||
| Tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde | ||||
| NAD de novo biosynthesis | ||||
| KEGG Pathway | Tryptophan metabolism | |||
| Metabolic pathways | ||||
| African trypanosomiasis | ||||
| NetPath Pathway | TSLP Signaling Pathway | |||
| IL5 Signaling Pathway | ||||
| TGF_beta_Receptor Signaling Pathway | ||||
| Pathwhiz Pathway | Tryptophan Metabolism | |||
| Reactome | Tryptophan catabolism | |||
| WikiPathways | Tryptophan metabolism | |||
| Metabolism of amino acids and derivatives | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity study of brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors. J Med Chem. 2006 Jan 26;49(2):684-92. | |||
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