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

General Information of Drug (ID: DMSDYZQ)

Drug Name

2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one Drug Info

Synonyms

gamma-Thujaplicin; 5-Isopropyltropolone; 672-76-4; gamma-Thujaplicine; THUJAPLICIN, ALPHA; .gamma.-Thujaplicin; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-; NSC43338; .gamma.-Thujaplicine; 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one; NSC402794; NSC 43338; NSC 18805; NSC 402794; BRN 2044323; AI3-28399; MLS002608534; MLS002702822; CHEMBL1275999; CHEBI:10578; NSC18805; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-isopropyl-; 2-hydroxy-5-isopropyl-cyclohepta-2,4,6-trien-1-one; WLN: L7VJ BQ EY1& SMR001527281

Indication

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

Cross-matching ID

PubChem CID: 12649
ChEBI ID: CHEBI:10578
CAS Number: CAS 672-76-4
TTD Drug ID: DMSDYZQ

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Patented Agent(s)

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Drug(s) Targeting Tyrosinase (TYR)

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

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

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

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References

1	Structural insights into the hot spot amino acid residues of mushroom tyrosinase for the bindings of thujaplicins. Bioorg Med Chem. 2010 Nov 15;18(22):8112-8.
2	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.
3	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.
4	National Cancer Institute Drug Dictionary (drug id 685201).
5	An immuno-oncology company developing a novel polyvalent antigen therapy for the treatment of melanoma. Polynoma. 2015.
6	Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
7	ClinicalTrials.gov (NCT00003362) Vaccine Therapy Plus Immune Adjuvants in Treating Patients With Advanced Melanoma. U.S. National Institutes of Health.
8	Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
9	Tyrosinase inhibitors: a patent review (2011-2015).Expert Opin Ther Pat. 2016;26(3):347-62.