Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09ZJW
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| Former ID |
DNC011143
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| Drug Name |
4-Chlorobenzenemethanethiol
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| Synonyms |
4-Chlorobenzyl mercaptan; 6258-66-8; 4-Chlorobenzenemethanethiol; 4-Chlorobenzylmercaptan; (4-Chlorophenyl)methanethiol; p-Chlorobenzyl mercaptan; Benzenemethanethiol, 4-chloro-; p-Chlorotoluene-alpha-thiol; 4-Chloro benzyl mercaptan; 4-chloro-alpha-toluenethiol; CHEMBL1224555; GKQXPTHQTXCXEV-UHFFFAOYSA-N; EINECS 228-395-7; 4-chlor-benzylthiol; 4-chlorobenzyl thiol; p-chlorobenzylmercaptan; PubChem6838; NSC 108735; 4-chloro-benzylmercaptan; AC1L2ZDM; 4-chlorophenylmethanethiol; ACMC-1BE9W; 4-chlorophenyl methanethiol; AC1Q3NX5
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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(=CC=C1CS)Cl
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| InChI |
1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
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| InChIKey |
GKQXPTHQTXCXEV-UHFFFAOYSA-N
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| CAS Number |
CAS 6258-66-8
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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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