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

General Information of Drug (ID: DM5NVHO)

• Drug Name: 1-[6-(triphenylmethoxy)hexyl]thymine Drug Info
• Synonyms: 1-[6-(triphenylmethoxy)hexyl]thymine; CHEMBL216998; 921587-93-1; CTK3G1844; DTXSID00658828; BDBM50200990; 5-Methyl-1-[6-(triphenylmethoxy)hexyl]pyrimidine-2,4(1H,3H)-dione; 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-[6-(triphenylmethoxy)hexyl]-

Indication

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

• Cross-matching ID:
  PubChem CID: 44418795
  CAS Number: CAS 921587-93-1
  TTD Drug ID: DM5NVHO

Molecule-Related Drug Atlas

Drug(s) Targeting Thymidine kinase 2 (Mt-TK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
MT-1621	DMUNBMA	Thymidine kinase 2 deficiency	5C55.1	Phase 3	[2]
1-[5-(triphenylmethoxy)pentyl]thymine	DMFHBJM	Discovery agent	N.A.	Investigative	[1]
1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine	DMU3VWA	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Thymidine kinase 1 (TK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Penciclovir	DMOUMDV	Herpes simplex labialis	1F00.01	Approved	[3]
DEOXYCYTIDINE	DMYE5LJ	Acute myeloid leukaemia	2A60	Approved	[4]
TK-DLI	DM26I8H	Graft-versus-host disease	4B24	Preregistration	[5]
FV-100	DMZARP1	Varicella zoster virus infection	1E91	Phase 3	[6]
Radiosensitizer gene therapy	DMN1ZEU	Pancreatic cancer	2C10	Phase 3	[7]
RP101	DMNIYSZ	Infectious disease	1A00-CA43.1	Phase 2/3	[8]
HQK-1004	DM3WX0K	Solid tumour/cancer	2A00-2F9Z	Phase 2	[9]
Rilapladib	DMB9861	Arteriosclerosis	BD40	Phase 1	[10]
Ad-OC-hsvTK/valacyclovir	DM9GLHO	Prostate cancer	2C82.0	Phase 1	[11]
Thymidine kinase-expressing adenovirus and ganciclovir suicide gene therapy	DMO8SGD	Solid tumour/cancer	2A00-2F9Z	Phase 1	[12]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thymidine kinase 1 (TK1)	TTP3QRF	KITH_HUMAN	Inhibitor	[1]
Thymidine kinase 2 (Mt-TK2)	TT7KNZQ	KITM_HUMAN	Inhibitor	[1]

References

• [1] N1-substituted thymine derivatives as mitochondrial thymidine kinase (TK-2) inhibitors. J Med Chem. 2006 Dec 28;49(26):7766-73.
• [2] Clinical pipeline report, company report or official report of Modis Therapeutics.
• [3] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [4] Species- or isozyme-specific enzyme inhibitors. 5. Differential effects of thymidine substituents on affinity for rat thymidine kinase isozymes. J Med Chem. 1982 Jun;25(6):644-9.
• [5] Company report (Takara Bio)
• [6] Specific recognition of the bicyclic pyrimidine nucleoside analogs, a new class of highly potent and selective inhibitors of varicella-zoster virus (VZV), by the VZV-encoded thymidine kinase. Mol Pharmacol. 2002 Feb;61(2):249-54.
• [7] Pronounced antitumor effects and tumor radiosensitization of double suicide gene therapy. Clin Cancer Res. 1997 Nov;3(11):2081-8.
• [8] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [9] Induction of the Epstein-Barr virus thymidine kinase gene with concomitant nucleoside antivirals as a therapeutic strategy for Epstein-Barr virus-associated malignancies. Curr Opin Oncol. 2001 Sep;13(5):360-7.
• [10] Trichomonas vaginalis thymidine kinase: purification, characterization and search for inhibitors. Biochem J. 1998 Aug 15;334 ( Pt 1):15-22.
• [11] Phase I dose escalation clinical trial of adenovirus vector carrying osteocalcin promoter-driven herpes simplex virus thymidine kinase in localized and metastatic hormone-refractory prostate cancer. Hum Gene Ther. 2003 Feb 10;14(3):227-41.
• [12] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.