Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D05LFV
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| Former ID |
DNC011136
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| Drug Name |
S-(4-Methylbenzyl)isothiourea hydrochloride
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| Synonyms |
940-63-6; CHEMBL1224315; DTXSID80501388; MolPort-019-952-918; S-(4-Methylbenzyl)Isothiourea HCl; NSC77403; NSC-77403; SR-01000635084-1; (4-Methylphenyl)methyl carbamimidothioate--hydrogen chloride (1/1)
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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 |
C9H13ClN2S
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| Canonical SMILES |
CC1=CC=C(C=C1)CSC(=N)N.Cl
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| InChI |
1S/C9H12N2S.ClH/c1-7-2-4-8(5-3-7)6-12-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
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| InChIKey |
WTAFMQGTBRUAGV-UHFFFAOYSA-N
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| CAS Number |
CAS 940-63-6
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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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