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

General Information of Drug (ID: DMPA8WO)

• Drug Name: NU1025 Drug Info
• Cross-matching ID:
  PubChem CID: 135398517
  ChEBI ID: CHEBI:75399
  CAS Number: CAS 90417-38-2
  TTD Drug ID: DMPA8WO

Molecule-Related Drug Atlas

Drug(s) Targeting Poly [ADP-ribose] polymerase 1 (PARP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nicotinamide	DMUPE07	Acne vulgaris	ED80	Approved	[3]
KU-0058948	DMSA4HZ	Ovarian cancer	2C73	Approved	[4]
Niraparib Tosylate	DMLPSWQ	Fallopian tube cancer	2C74	Approved	[5]
CC-486	DMTNQB0	Acute myeloid leukaemia	2A60	Phase 3	[6]
Nicaraven	DMFBNA3	Cerebrovascular disease	8B2Z	Phase 3	[7]
PMID27841036-Compound-37	DM0OVZ2	Ovarian cancer	2C73	Phase 2	[8]
Stenoparib	DMKVBL8	Ovarian cancer	2C73	Phase 2	[9]
AG140699	DMA9FKY	Melanoma	2C30	Phase 2	[10]
AZD5305	DMW9R1C	Prostate cancer	2C82.0	Phase 2	[11]
AMXI 5001	DMR9H6B	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[12]

Drug(s) Affected By Chimeric ERCC6-PGBD3 protein (ERCC6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[13]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[14]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[15]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[16]
Arsenic	DMTL2Y1	N. A.	N. A.	Approved	[17]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[16]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[18]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[19]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[20]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[21]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Chimeric ERCC6-PGBD3 protein (ERCC6)	OT2QZKSF	ERPG3_HUMAN	Drug Response	[2]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [2] A high-fat diet and NAD(+) activate Sirt1 to rescue premature aging in cockayne syndrome. Cell Metab. 2014 Nov 4;20(5):840-855. doi: 10.1016/j.cmet.2014.10.005. Epub 2014 Nov 4.
• [3] beta-1,2,3-Triazolyl-nucleosides as nicotinamide riboside mimics. Nucleosides Nucleotides Nucleic Acids. 2009 Mar;28(3):238-59.
• [4] Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J Med Chem. 2009 May 14;52(9):3108-11.
• [5] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [6] Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. J Med Chem. 2003 Jan 16;46(2):210-3.
• [7] Inhibition of poly (ADP-ribose) polymerase as a protective effect of nicaraven in ionizing radiation- and ara-C-induced cell death. Anticancer Res. 2006 Sep-Oct;26(5A):3421-7.
• [8] PARP inhibitors as antitumor agents: a patent update (2013-2015).Expert Opin Ther Pat. 2017 Mar;27(3):363-382.
• [9] Clinical pipeline report, company report or official report of Allarity Therapeutics.
• [10] Poly(ADP-ribose) polymerase and the therapeutic effects of its inhibitors. Nat Rev Drug Discov. 2005 May;4(5):421-40.
• [11] Preclinical Characterization of AZD5305, A Next-Generation, Highly Selective PARP1 Inhibitor and Trapper. Clin Cancer Res. 2022 Nov 1;28(21):4724-4736.
• [12] AMXI-5001, a novel dual parp1/2 and microtubule polymerization inhibitor for the treatment of human cancers. Am J Cancer Res. 2020 Aug 1;10(8):2649-2676.
• [13] Cannabidiol-induced transcriptomic changes and cellular senescence in human Sertoli cells. Toxicol Sci. 2023 Feb 17;191(2):227-238. doi: 10.1093/toxsci/kfac131.
• [14] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [15] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
• [16] DNA demethylation by 5-aza-2-deoxycytidine treatment abrogates 17 beta-estradiol-induced cell growth and restores expression of DNA repair genes in human breast cancer cells. Cancer Lett. 2012 Mar;316(1):62-9. doi: 10.1016/j.canlet.2011.10.022. Epub 2011 Oct 23.
• [17] Chronic exposure to arsenic causes increased cell survival, DNA damage, and increased expression of mitochondrial transcription factor A (mtTFA) in human prostate epithelial cells. Chem Res Toxicol. 2011 Mar 21;24(3):340-9. doi: 10.1021/tx1003112. Epub 2011 Jan 14.
• [18] Bringing in vitro analysis closer to in vivo: studying doxorubicin toxicity and associated mechanisms in 3D human microtissues with PBPK-based dose modelling. Toxicol Lett. 2018 Sep 15;294:184-192.
• [19] Mitochondrial reactive oxygen species are scavenged by Cockayne syndrome B protein in human fibroblasts without nuclear DNA damage. Proc Natl Acad Sci U S A. 2014 Sep 16;111(37):13487-92. doi: 10.1073/pnas.1414135111. Epub 2014 Aug 18.
• [20] The endoperoxide ascaridol shows strong differential cytotoxicity in nucleotide excision repair-deficient cells. Toxicol Appl Pharmacol. 2012 Mar 15;259(3):302-10. doi: 10.1016/j.taap.2012.01.006. Epub 2012 Jan 17.
• [21] Late activation of stress-activated protein kinases/c-Jun N-terminal kinases triggered by cisplatin-induced DNA damage in repair-defective cells. J Biol Chem. 2011 Apr 15;286(15):12991-3001. doi: 10.1074/jbc.M110.190645. Epub 2011 Feb 15.