Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Z0BB
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| Former ID |
DNC011150
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| Drug Name |
3,4-Dichlorobenzenemethanethiol
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| Synonyms |
3,4-Dichlorobenzyl mercaptan; 36480-40-7; 3,4-Dichlorobenzenemethanethiol; (3,4-Dichlorophenyl)methanethiol; 3,4-Dichlorotoluene-alpha-thiol; CHEMBL1224626; CEGBRSQPRQXALB-UHFFFAOYSA-N; Benzenemethanethiol, 3,4-dichloro-; EINECS 253-054-4; AC1L3NZT; ACMC-1AEX5; AC1Q3O9X; 3,4-dichlorobenzylmercaptan; SCHEMBL232137; CTK3J7596; 3,4-Dichloro-alpha-toluenethiol; DTXSID50189990; MolPort-002-498-119; ZINC4802670; (3,4-Dichlorophenyl)methanethiol #; (3,4-Dichloro-phenyl)-methanethiol; BDBM50325571; MFCD00039651; GEO-00980
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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 |
C7H6Cl2S
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| Canonical SMILES |
C1=CC(=C(C=C1CS)Cl)Cl
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| InChI |
1S/C7H6Cl2S/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
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| InChIKey |
CEGBRSQPRQXALB-UHFFFAOYSA-N
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| CAS Number |
CAS 36480-40-7
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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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