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

General Information of Drug (ID: DMR3A5N)

• Drug Name: 10-Propargyl-5,8-Dideazafolic Acid Drug Info
• Cross-matching ID:
  PubChem CID: 135438608
  ChEBI ID: CHEBI:3258
  CAS Number: CAS 76849-19-9
  TTD Drug ID: DMR3A5N

Molecule-Related Drug Atlas

Drug(s) Targeting Candida Thymidylate synthase (Candi TMP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[2]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[3]
Pemetrexed	DMMX2E6	Central nervous system lymphoma	2B33.5	Approved	[4]
Trifluridine	DMG2YBD	Herpetic keratitis	1F00.10	Approved	[5]
Capecitabine	DMTS85L	Adenocarcinoma	2D40	Approved	[6]
Raltitrexed	DMT9K8G	Rectal adenocarcinoma	2B92	Approved	[7]
Floxuridine	DM04LR2	Colorectal cancer	2B91.Z	Approved	[8]
Flucytosine	DM13VTW	Cryptococcal meningitis		Approved	[9]
Nolatrexed	DMOF0CA	Solid tumour/cancer	2A00-2F9Z	Phase 3	[10]
Plevitrexed (R)-isomer	DMTL39C	Gastric adenocarcinoma	2B72	Phase 2	[11]

Drug(s) Targeting Quinone reductase 2 (NQO2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Melatonin	DMKWFBT	Depression	6A70-6A7Z	Approved	[12]
NSC-645809	DMPJQZG	Breast cancer	2C60-2C65	Phase 2	[13]
Prolarix	DMZIQ8G	Solid tumour/cancer	2A00-2F9Z	Phase 2	[14]
CB1954	DMVP4YK	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[1]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[1]
2-iodo-melatonin	DMSEIUP	Discovery agent	N.A.	Investigative	[15]
3,4,5-Trimethoxy-4'-amino-trans-stilbene	DMDBOJ5	Discovery agent	N.A.	Investigative	[16]
NSC-645808	DMMBAR3	Discovery agent	N.A.	Investigative	[13]
decynium 22	DMWCTZ7	Discovery agent	N.A.	Investigative	[17]
NSC-106080	DMR6P9S	Discovery agent	N.A.	Investigative	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Thymidylate synthase (Candi TMP1)	TTU6BFZ	TYSY_CANAL	Inhibitor	[1]
Quinone reductase 2 (NQO2)	TTJLP0R	NQO2_HUMAN	Inhibitor	[1]

References

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• [2] The efficacy of the combination therapy of 5-fluorouracil, cisplatin and leucovorin for hepatocellular carcinoma and its predictable factors. Cancer Chemother Pharmacol. 2004 Apr;53(4):296-304.
• [3] Loss of folylpoly-gamma-glutamate synthetase activity is a dominant mechanism of resistance to polyglutamylation-dependent novel antifolates in multiple human leukemia sublines. Int J Cancer. 2003 Feb 20;103(5):587-99.
• [4] Updated clinical information on multitargeted antifolates in lung cancer. Clin Lung Cancer. 2009 Mar;10 Suppl 1:S35-40.
• [5] Trifluorothymidine induces cell death independently of p53. Nucleosides Nucleotides Nucleic Acids. 2008 Jun;27(6):699-703.
• [6] UGT1A7 and UGT1A9 polymorphisms predict response and toxicity in colorectal cancer patients treated with capecitabine/irinotecan. Clin Cancer Res. 2005 Feb 1;11(3):1226-36.
• [7] DNA damage and homologous recombination signaling induced by thymidylate deprivation. Biochem Pharmacol. 2008 Oct 15;76(8):987-96.
• [8] Antisense down-regulation of thymidylate synthase to suppress growth and enhance cytotoxicity of 5-FUdR, 5-FU and Tomudex in HeLa cells. Br J Pharmacol. 1999 Aug;127(8):1777-86.
• [9] Antifungal agents: mode of action in yeast cells. Rev Esp Quimioter. 2006 Jun;19(2):130-9.
• [10] A phase I study of the lipophilic thymidylate synthase inhibitor Thymitaq (nolatrexed dihydrochloride) given by 10-day oral administration. Br J Cancer. 1999 Feb;79(5-6):915-20.
• [11] Cooperative inhibition of human thymidylate synthase by mixtures of active site binding and allosteric inhibitors. Biochemistry. 2007 Mar 13;46(10):2823-30.
• [12] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [13] Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6.
• [14] CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
• [15] Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84.
• [16] Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66.
• [17] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.