Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMQSEF6)

• Drug Name: 1-(1-(thiophen-2-yl)ethylidene)thiosemicarbazide Drug Info
• Synonyms: CHEMBL401925; 1-(2-thienyl)ethanone thiosemicarbazone; AC1NT9MW; ZINC4603414; BDBM50376204; AKOS006242416; AKOS002388583; 1-(2-Thienyl)ethanonethiosemicarbazone; [(Z)-1-thiophen-2-ylethylideneamino]thiourea

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 5375570
  TTD Drug ID: DMQSEF6

Molecule-Related Drug Atlas

Drug(s) Targeting Tyrosinase (TYR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[3]
Monobenzone	DMVJS2K	Vitiligo	ED63.0	Approved	[3]
Multi-epitope peptide melanoma vaccine	DMZPEHY	Melanoma	2C30	Phase 3	[4]
Melanoma vaccine	DMQEC6Z	Melanoma	2C30	Phase 3	[5]
Polynoma-1	DM3QDA6	Melanoma	2C30	Phase 2	[6]
MKC-1106-MT	DMXKOW6	Melanoma	2C30	Phase 2	[7]
Multi-epitope tyrosinase/gp100 vaccine	DMN68ZL	Melanoma	2C30	Phase 2	[8]
PMID29130358-Compound-Figure11(3)	DMSME2B	N. A.	N. A.	Patented	[9]
Benzothiazole analog 1	DMHXFCQ	Albinism	EC23.2	Patented	[10]
Monoamine derivative 2	DMAZ6DI	Albinism	EC23.2	Patented	[10]

Drug(s) Affected By Procathepsin L (CTSL)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[11]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[12]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[13]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[14]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[15]
Amodiaquine	DME4RA8	Malaria	1F40-1F45	Approved	[16]
Azathioprine	DMMZSXQ	Lupus nephritis	4A40.0Y	Approved	[17]
Amiodarone	DMUTEX3	Tachyarrhythmias	BC71	Approved	[18]
Phenytoin	DMNOKBV	Epilepsy	8A60-8A68	Approved	[13]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Procathepsin L (CTSL)	OTYTUW29	CATL1_HUMAN	Gene/Protein Processing	[2]

References

• [1] 1-(1-Arylethylidene)thiosemicarbazide derivatives: a new class of tyrosinase inhibitors. Bioorg Med Chem. 2008 Feb 1;16(3):1096-102.
• [2] Novel inhibitors of severe acute respiratory syndrome coronavirus entry that act by three distinct mechanisms. J Virol. 2013 Jul;87(14):8017-28. doi: 10.1128/JVI.00998-13. Epub 2013 May 15.
• [3] Identification of an Alkylhydroquinone from Rhus succedanea as an Inhibitor of Tyrosinase and Melanogenesis. J Agric Food Chem. 2009 Mar 25;57(6):2200-5.
• [4] Safety and immunogenicity of vaccination with MART-1 (26-35, 27L), gp100 (209-217, 210M), and tyrosinase (368-376, 370D) in-adjuvant with PF-3512676 and GM-CSF in metastatic melanoma. Correction in: volume 35 on page 650.
• [5] National Cancer Institute Drug Dictionary (drug id 685201).
• [6] An immuno-oncology company developing a novel polyvalent antigen therapy for the treatment of melanoma. Polynoma. 2015.
• [7] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [8] ClinicalTrials.gov (NCT00003362) Vaccine Therapy Plus Immune Adjuvants in Treating Patients With Advanced Melanoma. U.S. National Institutes of Health.
• [9] Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
• [10] Tyrosinase inhibitors: a patent review (2011-2015).Expert Opin Ther Pat. 2016;26(3):347-62.
• [11] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [12] Comparative gene expression analysis of a chronic myelogenous leukemia cell line resistant to cyclophosphamide using oligonucleotide arrays and response to tyrosine kinase inhibitors. Leuk Res. 2007 Nov;31(11):1511-20.
• [13] Phenytoin and cyclosporin A suppress the expression of MMP-1, TIMP-1, and cathepsin L, but not cathepsin B in cultured gingival fibroblasts. J Periodontol. 2000 Jun;71(6):955-60. doi: 10.1902/jop.2000.71.6.955.
• [14] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [15] Quantitative proteomics reveals a broad-spectrum antiviral property of ivermectin, benefiting for COVID-19 treatment. J Cell Physiol. 2021 Apr;236(4):2959-2975. doi: 10.1002/jcp.30055. Epub 2020 Sep 22.
• [16] The antimalarial amodiaquine causes autophagic-lysosomal and proliferative blockade sensitizing human melanoma cells to starvation- and chemotherapy-induced cell death. Autophagy. 2013 Dec;9(12):2087-102. doi: 10.4161/auto.26506. Epub 2013 Oct 8.
• [17] A transcriptomics-based in vitro assay for predicting chemical genotoxicity in vivo. Carcinogenesis. 2012 Jul;33(7):1421-9.
• [18] A role for the autophagy regulator Transcription Factor EB in amiodarone-induced phospholipidosis. Biochem Pharmacol. 2015 Jun 1;95(3):201-9. doi: 10.1016/j.bcp.2015.03.017. Epub 2015 Apr 13.
• [19] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.