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

General Information of Drug (ID: DMRGFEM)

• Drug Name: alphabeta-methyleneADP Drug Info
• Synonyms: Phosphomethylphosphonic acid adenosyl ester; Adenosine 5'-methylenediphosphate; phosphomethylphosphonic acid adenosyl ester; 3768-14-7; alpha,beta-methylene ADP; MethADP; AMP-CP; UNII-0T2A5439OE; Adenosine, 5'-(trihydrogen methylenebis(phosphonate)); EINECS 223-194-0; NSC 614641; ALPHA,BETA-METHYLENEADENOSINE 5'-DIPHOSPHATE; Adenosine 5'-(hydrogen (phosphonomethyl)phosphonate); CHEBI:40730; 0T2A5439OE; ALPHA,BETA-METHYLENEADENOSINE-5'-DIPHOSPHATE; AMPCP; 5'-O-[hydroxy(phosphonomethyl)phosphoryl]adenosine; Adenosine 5'-(alpha,beta-methylene)diphosphoric acid; alpha,beta-methyleneadenosine 5'-diphosphate (alphabetameADP); [alphabetaCH2]ADP; Phosphomethylphosphonic Acid Adenosyl Ester

Indication

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

• Cross-matching ID:
  PubChem CID: 92199
  ChEBI ID: CHEBI:40730
  CAS Number: CAS 3768-14-7
  TTD Drug ID: DMRGFEM

Molecule-Related Drug Atlas

Drug(s) Targeting Ecto-5'-nucleotidase (CD73)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
TJ004309	DMFB54Y	Ovarian cancer	2C73	Phase 2	[4]
GS-1423	DMS25DL	Solid tumour/cancer	2A00-2F9Z	Phase 1	[5]
Oleclumab	DMLVNWO	Solid tumour/cancer	2A00-2F9Z	Phase 1	[6]
AB680	DMGONUE	Pancreatic cancer	2C10	Phase 1	[7]
TJ4309	DMM3U2Q	Solid tumour/cancer	2A00-2F9Z	Phase 1	[8]
CPI-006	DMJSFTX	Advanced cancer	2A00-2F9Z	Phase 1	[9]
LY3475070	DMZLIWX	Solid tumour/cancer	2A00-2F9Z	Phase 1	[10]
NZV930	DMWN2FP	Solid tumour/cancer	2A00-2F9Z	Phase 1	[11]
PMID28870136-Compound-57	DME3HLC	N. A.	N. A.	Patented	[12]
PMID28870136-Compound-46	DM4FD7C	N. A.	N. A.	Patented	[12]

Drug(s) Targeting Human Deoxyribonucleic acid (hDNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[13]
Oxaliplatin	DMQNWRD	Adenocarcinoma	2D40	Approved	[14]
Daunorubicin	DMQUSBT	Acute monocytic leukemia		Approved	[15]
Ifosfamide	DMCT3I8	Adult central nervous system germ cell tumor		Approved	[16]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[17]
Carboplatin	DMG281S	Adenocarcinoma	2D40	Approved	[18]
Busulfan	DMXYJ9C	Chronic myelogenous leukaemia	2A20.0	Approved	[19]
Procarbazine	DMIK367	Hodgkin lymphoma	2B30	Approved	[20]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[21]
Dacarbazine	DMNPZL4	Adenocarcinoma	2D40	Approved	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ecto-5'-nucleotidase (CD73)	TTK0O6Y	5NTD_HUMAN	Inhibitor	[2]
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Inhibitor	[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: 5092).
• [2] 5'-Nucleotidase from smooth muscle of small intestine and from brain. Inhibition of nucleotides. Biochemistry. 1975 Jun 3;14(11):2362-6.
• [3] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [4] ClinicalTrials.gov (NCT05001347) A Phase 2 Clinical Study of TJ004309 in Combination With Atezolizumab (TECENTRIQ?) in Patients With Advanced or Metastatic Ovarian Cancers and Selected Advanced Solid Tumors. U.S.National Institutes of Health.
• [5] Clinical pipeline report, company report or official report of Agenus.
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] Discovery of AB680: A Potent and Selective Inhibitor of CD73. J Med Chem. 2020 Oct 22;63(20):11448-11468.
• [8] ClinicalTrials.gov (NCT04322006) A Phase I/II Study of TJ004309 for Advanced Solid Tumor. U.S. National Institutes of Health.
• [9] Clinical pipeline report, company report or official report of Corvus Pharmaceuticals.
• [10] CD73's Potential as an Immunotherapy Target in Gastrointestinal Cancers. Front Immunol. 2020 Apr 15;11:508.
• [11] Clinical pipeline report, company report or official report of Surface oncology.
• [12] Ectonucleotidase inhibitors: a patent review (2011-2016).Expert Opin Ther Pat. 2017 Dec;27(12):1291-1304.
• [13] Cisplatin and DNA repair in cancer chemotherapy.Trends Biochem Sci.1995 Oct;20(10):435-9.
• [14] Structures of oxaliplatin-oligonucleotide adducts from DNA.J Mass Spectrom.2012 Oct;47(10):1282-93.
• [15] 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.
• [16] 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.
• [17] 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.
• [18] 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.
• [19] 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.
• [20] 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.
• [21] Structural studies of atom-specific anticancer drugs acting on DNA. Pharmacol Ther. 1999 Sep;83(3):181-215.
• [22] 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.