Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K3SZ
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| Former ID |
DNC011147
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| Drug Name |
4-Methylbenzenemethanethiol
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| Synonyms |
4498-99-1; 4-Methylbenzyl Mercaptan; (4-Methylphenyl)methanethiol; p-Xylene-alpha-thiol; alpha-Mercapto-p-xylene; 4-Methylbenzenemethanethiol; 4-Methylbenzylmercaptan; Benzenemethanethiol, 4-methyl-; CHEMBL1224559; AGFYZLVFPSGUIX-UHFFFAOYSA-N; P-Xylyl Mercaptan; (4-methylphenyl)methane-1-thiol; p-tolylmethanethiol; NSC79870; EINECS 224-796-6; AC1L2UTO; AC1Q7GOJ; ACMC-1AQT2; 4-Methyl-alpha-toluenethiol; SCHEMBL385561; PARA-XYLENE-ALPHA-THIOL; (4-Methylphenyl)methanethiol #; CTK3J1384; DTXSID30196349; MolPort-000-146-954
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C8H10S
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| Canonical SMILES |
CC1=CC=C(C=C1)CS
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| InChI |
1S/C8H10S/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
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| InChIKey |
AGFYZLVFPSGUIX-UHFFFAOYSA-N
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| CAS Number |
CAS 4498-99-1
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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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