Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0P1CO
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| Former ID |
DNC011142
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| Drug Name |
S-(3,4-Dichlorobenzyl)isothiourea hydrochloride
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| Synonyms |
22816-60-0; MreB Perturbing Compound A22; 2-(3,4-Dichloro-benzyl)-isothiourea hydrochloride; S-(3,4-Dichlorobenzyl)isothiourea, HCl; 3,4-dichlorobenzyl carbamimidothioate hydrochloride; 2-[(3,4-dichlorophenyl)methyl]isothiourea hydrochloride; 2-(3,4-DICHLORO-BENZYL)-ISOTHIOUREA; {[(3,4-dichlorophenyl)methyl]sulfanyl}methanimidamide hydrochloride; CHEMBL1224484; amino[(3,4-dichlorobenzyl)sulfanyl]methaniminium chloride; A 22 hydrochloride; AC1MD4YH
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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 |
C8H9Cl3N2S
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| Canonical SMILES |
C1=CC(=C(C=C1CSC(=N)N)Cl)Cl.Cl
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| InChI |
1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(3-7(6)10)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
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| InChIKey |
VBJNMXMOMSWRDV-UHFFFAOYSA-N
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| CAS Number |
CAS 22816-60-0
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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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