Drug Information

Drug General Information
Drug ID
D0G9WX
Former ID
DNC014390
Drug Name
5-benzhydryl-1,3,4-thiadiazole-2(3H)-thione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530900]
Structure
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2D MOL

3D MOL
Formula
C15H12N2S2
Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NNC(=S)S3
InChI
1S/C15H12N2S2/c18-15-17-16-14(19-15)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,17,18)
InChIKey
NYLCTMQHPFIJCL-UHFFFAOYSA-N
PubChem Compound ID
46225813
Target and Pathway
Target(s) Tyrosine oxidase Target Info Inhibitor [530900]
BioCyc Pathway (S)-reticuline biosynthesis
Eumelanin biosynthesis
L-dopachrome biosynthesis
KEGG Pathway Tyrosine metabolism
Riboflavin metabolism
Metabolic pathways
Melanogenesis
PathWhiz Pathway Riboflavin Metabolism
Tyrosine Metabolism
WikiPathways Dopamine metabolism
References
Ref 530900Bioorg Med Chem. 2010 Jun 1;18(11):4042-8. Epub 2010 Apr 13.New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides to the dicopper active site.
Ref 530900Bioorg Med Chem. 2010 Jun 1;18(11):4042-8. Epub 2010 Apr 13.New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides to the dicopper active site.

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