Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Q9JG
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| Former ID |
DNC011138
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| Drug Name |
S-(4-Methoxybenzyl)isothiourea hydrochloride
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| Synonyms |
25985-08-4; 4-Methoxybenzyl imidothiocarbamate hydrochloride; S-(4-Methoxybenzyl)isothiourea hydrochloride; CHEMBL1224394; 46234-22-4; 2-(4-Methoxybenzyl)isothiourea hydrochloride; SCHEMBL489767; DTXSID10551871; QGNMUFKTLKVUHM-UHFFFAOYSA-N; NSC67155; S-(4-Methoxybenzyl)Isothiourea HCl; NSC-67155; GEO-03857; AKOS030231098; S-(4-methoxybenzyl)thiopseudourea, hydrochloride; 2-(4-methoxybenzyl)-2-thiopseudo-urea hydrochloride; 2-(4-methoxybenzyl)-2-thiopseudourea, hydrochloride; 2-((4-methoxyphenyl)methyl)-2-thiopseudourea hydr
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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 |
C9H13ClN2OS
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| Canonical SMILES |
COC1=CC=C(C=C1)CSC(=N)N.Cl
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| InChI |
1S/C9H12N2OS.ClH/c1-12-8-4-2-7(3-5-8)6-13-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
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| InChIKey |
QGNMUFKTLKVUHM-UHFFFAOYSA-N
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| CAS Number |
CAS 25985-08-4
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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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