Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D00GYX
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| Former ID |
DNC011145
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| Drug Name |
BENZENEMETHANETHIOL
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| Synonyms |
BENZYL MERCAPTAN; Benzenemethanethiol; Phenylmethanethiol; 100-53-8; Benzylthiol; Thiobenzyl alcohol; alpha-Toluenethiol; Benzyl hydrosulfide; (Mercaptomethyl)benzene; alpha-Mercaptotoluene; Benzylhydrosulfide; alpha-Toluolthiol; Phenylmethyl mercaptan; Benzylmercaptan; Toluene-alpha-thiol; benzyl thiol; Methanethiol, phenyl-; alpha-Tolyl mercaptan; phenyl-methanethiol; USAF ex-1509; .alpha.-Toluenethiol; Toluene, alpha-mercapto-; UNII-OS34A21OBZ; NSC 41897; benzyl-MERCAPTAN; .alpha.-Toluolthiol; FEMA No. 2147; CCRIS 9
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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 |
C7H8S
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| Canonical SMILES |
C1=CC=C(C=C1)CS
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| InChI |
1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
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| InChIKey |
UENWRTRMUIOCKN-UHFFFAOYSA-N
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| CAS Number |
CAS 100-53-8
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:137674
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| 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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