Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03ETX
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| Former ID |
DNC006076
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| Drug Name |
S-Benzyl-brassinin
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| Synonyms |
S-Benzyl-brassinin; 917986-01-7; CHEMBL203477; CTK3H8792; DTXSID10658773; AKOS030611376; 2-(S-benzyldithiocarbamoylaminomethyl)indole; Benzyl [(1H-indol-2-yl)methyl]carbamodithioate; Carbamodithioic acid, N-(1H-indol-2-ylmethyl)-, phenylmethyl ester
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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 |
C17H16N2S2
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| Canonical SMILES |
C1=CC=C(C=C1)CSC(=S)NCC2=CC3=CC=CC=C3N2
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| InChI |
1S/C17H16N2S2/c20-17(21-12-13-6-2-1-3-7-13)18-11-15-10-14-8-4-5-9-16(14)19-15/h1-10,19H,11-12H2,(H,18,20)
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| InChIKey |
PHBHIYCWGKONRK-UHFFFAOYSA-N
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| CAS Number |
CAS 917986-01-7
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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 | Structure-activity study of brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors. J Med Chem. 2006 Jan 26;49(2):684-92. | |||
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