Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02DRL
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| Former ID |
DNC011131
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| Drug Name |
S-(2-Chlorobenzyl)isothiourea hydrochloride
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| Synonyms |
3778-85-6; NSC 60041; 2-(2-Chlorobenzyl)-2-thiopseudourea hydrochloride; Pseudourea, 2-(2-chlorobenzyl)-2-thio-, hydrochloride; 2-Chlorobenzyl carbamimidothioate hydrochloride; 14122-38-4; 2-chlorobenzyl imidothiocarbamate hydrochloride; CHEMBL1224310; 2-chlorobenzyl imidothiocarbamate; 2-chlorophenylmethyl carbamimidothioate hydrochloride; AC1L56TG; MLS000698043; WLN: MUYZS1R BG & DTXSID00191225; MolPort-001-529-519; S-(2-Chlorobenzyl)Isothiourea HCl; NSC60041; NSC-60041; Carbamimidothioic acid, (2-chlorophenyl)methy
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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 |
C8H10Cl2N2S
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| Canonical SMILES |
C1=CC=C(C(=C1)CSC(=N)N)Cl.Cl
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| InChI |
1S/C8H9ClN2S.ClH/c9-7-4-2-1-3-6(7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H
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| InChIKey |
CEICVYXCGHTEIT-UHFFFAOYSA-N
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| CAS Number |
CAS 3778-85-6
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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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