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

General Information of Drug (ID: DMFU0JY)

• Drug Name: TH-302 Drug Info
• Synonyms: TH-302; evofosfamide; 918633-87-1; TH 302; TH302; UNII-8A9RZ3HN8W; Evofosfamide(TH 302); n,n'-bis(2-bromoethyl)phosphorodiamidic acid (1-methyl-2-nitro-1h-imidazol-5-yl)methyl ester; 8A9RZ3HN8W; compound 3b; TH-302; Evofosfamide;HAP-302; Phosphorodiamidic acid, N,N'-bis(2-bromoethyl)-, (1-methyl-2-nitro-1H-imidazol-5-yl)methyl ester; 2-bromo-N-[(2-bromoethylamino)-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phosphoryl]ethanamine; Evofosfamide [USAN:INN]; Evofosfamide(TH-302); C9H16Br2N5O4P; CHEMBL260046; SCHEMBL2357174

Indication

Disease Entry	ICD 11	Status	REF
Soft tissue sarcoma	2B57	Phase 2	[1]
Melanoma	2C30	Phase 1	[2]
Pancreatic cancer	2C10	Phase 1	[2]
Prostate cancer	2C82.0	Phase 1	[2]
Squamous cell carcinoma	2B60-2D01	Phase 1	[2]

• Cross-matching ID:
  PubChem CID: 11984561
  CAS Number: CAS 918633-87-1
  TTD Drug ID: DMFU0JY

Molecule-Related Drug Atlas

Drug(s) Targeting Human Deoxyribonucleic acid (hDNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[4]
Oxaliplatin	DMQNWRD	Adenocarcinoma	2D40	Approved	[5]
Daunorubicin	DMQUSBT	Acute monocytic leukemia		Approved	[6]
Ifosfamide	DMCT3I8	Adult central nervous system germ cell tumor		Approved	[7]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[8]
Carboplatin	DMG281S	Adenocarcinoma	2D40	Approved	[9]
Busulfan	DMXYJ9C	Chronic myelogenous leukaemia	2A20.0	Approved	[10]
Procarbazine	DMIK367	Hodgkin lymphoma	2B30	Approved	[11]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[12]
Dacarbazine	DMNPZL4	Adenocarcinoma	2D40	Approved	[13]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Modulator	[3]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8695).
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] Company report (Threshold Pharmaceuticals)
• [4] Cisplatin and DNA repair in cancer chemotherapy.Trends Biochem Sci.1995 Oct;20(10):435-9.
• [5] Structures of oxaliplatin-oligonucleotide adducts from DNA.J Mass Spectrom.2012 Oct;47(10):1282-93.
• [6] 31P NMR spectra of ethidium, quinacrine, and daunomycin complexes with poly(adenylic acid).poly(uridylic acid) RNA duplex and calf thymus DNA. Biochemistry. 1989 Apr 4;28(7):2804-12.
• [7] Pharmacokinetics and metabolism of ifosfamide in relation to DNA damage assessed by the COMET assay in children with cancer. Br J Cancer. 2005 May 9;92(9):1626-35.
• [8] O6-methylguanine-DNA methyltransferase activity and sensitivity to cyclophosphamide and cisplatin in human lung tumor xenografts. Int J Cancer. 1998 Sep 11;77(6):919-22.
• [9] Inhibition of carboplatin-induced DNA interstrand cross-link repair by gemcitabine in patients receiving these drugs for platinum-resistant ovarian cancer.Clin Cancer Res.2010 Oct 1;16(19):4899-905.
• [10] DNA intrastrand cross-link at the 5'-GA-3' sequence formed by busulfan and its role in the cytotoxic effect. Cancer Sci. 2004 May;95(5):454-8.
• [11] Brca2/Xrcc2 dependent HR, but not NHEJ, is required for protection against O(6)-methylguanine triggered apoptosis, DSBs and chromosomal aberrations... DNA Repair (Amst). 2009 Jan 1;8(1):72-86.
• [12] Structural studies of atom-specific anticancer drugs acting on DNA. Pharmacol Ther. 1999 Sep;83(3):181-215.
• [13] Predicting the myelotoxicity of chemotherapy: the use of pretreatment O6-methylguanine-DNA methyltransferase determination in peripheral blood mono... Melanoma Res. 2011 Dec;21(6):502-8.