Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0P3XW
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| Former ID |
DNC011144
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| Drug Name |
2-Chlorobenzenemethanethiol
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| Synonyms |
2-Chlorobenzenemethanethiol; 39718-00-8; (2-Chlorophenyl)methanethiol; 2-Chlorobenzyl mercaptan; 2-Chlorobenzylmercaptan; 2-Chloro benzyl mercaptan; Benzenemethanethiol, 2-chloro-; CHEMBL1224556; WWFIIZLHSNBNTC-UHFFFAOYSA-N; 2-Chlorobenzyl mercaptan, 98%; o-chlorobenzylmercaptan; PubChem6836; AC1Q3PHW; AC1LBDF6; 2-chlorophenylmethanethiol; 2-chlorophenyl-methanethiol; 2-chloro-alpha-toluenethiol; ACMC-1CT33; SCHEMBL646102; (2-Chlorophenyl)methanethiol #; o-chlorotoluene-α-thiol; CTK3J1402
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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 |
C7H7ClS
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| Canonical SMILES |
C1=CC=C(C(=C1)CS)Cl
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| InChI |
1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
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| InChIKey |
WWFIIZLHSNBNTC-UHFFFAOYSA-N
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| CAS Number |
CAS 39718-00-8
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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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