Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0W3OY
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| Former ID |
DNC011140
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| Drug Name |
S-(4-Nitrobenzyl)isothiourea hydrochloride
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| Synonyms |
USAF PD-23; NSC 3850; 4-nitrobenzyl imidothiocarbamate hydrochloride; 4-Nitrobenzyl thiopseudourea hydrochloride; NSC 114527; 4357-96-4; 2-(p-Nitrobenzyl)-2-thiopseudourea monohydrochloride; Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride; Pseudourea, 2-(p-nitrobenzyl)thio-, hydrochloride; EN300-31371; WLN: MUYZS1R DNW & {[(4-nitrophenyl)methyl]sulfanyl}methanimidamide hydrochloride; CHEMBL1224396; AC1L2UEL; AC1Q3CS0; 4-nitrobenzyl carbamimidothioate hydrochloride(1:1); SCHEMBL5220646; AC1Q38L0; CTK8F6192
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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 |
C8H10ClN3O2S
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| Canonical SMILES |
C1=CC(=CC=C1CSC(=N)N)[N+](=O)[O-].Cl
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| InChI |
1S/C8H9N3O2S.ClH/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13;/h1-4H,5H2,(H3,9,10);1H
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| InChIKey |
XLXMUFLBCRDKMJ-UHFFFAOYSA-N
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| CAS Number |
CAS 4357-96-4
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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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