Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03JAE
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| Former ID |
DNC011135
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| Drug Name |
S-(4-Bromobenzyl)isothiourea hydrobromide
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| Synonyms |
111039-41-9; 4-bromobenzyl carbamimidothioate hydrobromide; S-(4-Bromobenzyl)isothiourea hydrobromide; {[(4-Bromophenyl)methyl]sulfanyl}methanimidamide hydrobromide; CHEMBL1224314; ([(4-Bromophenyl)methyl]sulfanyl)methanimidamide hydrobromide; SCHEMBL854064; KS-00001OGW; MolPort-002-945-994; STK099425; NSC403785; AKOS005396363; NSC-403785
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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 |
C8H10Br2N2S
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| Canonical SMILES |
C1=CC(=CC=C1CSC(=N)N)Br.Br
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| InChI |
1S/C8H9BrN2S.BrH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H
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| InChIKey |
PHMCIGUUXGYEBU-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 | S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5126-9. | |||
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