Drug Information

Drug General Information
Drug ID
D0K3SZ
Former ID
DNC011147
Drug Name
4-Methylbenzenemethanethiol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531087]
Formula
C8H10S
Canonical SMILES
CC1=CC=C(C=C1)CS
InChI
1S/C8H10S/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKey
AGFYZLVFPSGUIX-UHFFFAOYSA-N
PubChem Compound ID
78252
Target and Pathway
Target(s) Indoleamine 2,3-dioxygenase Target Info Inhibitor [531087]
BioCyc Pathway 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
Ref 531087Bioorg Med Chem Lett. 2010 Sep 1;20(17):5126-9. Epub 2010 Jul 11.S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.
Ref 531087Bioorg Med Chem Lett. 2010 Sep 1;20(17):5126-9. Epub 2010 Jul 11.S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.

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