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

General Information of Drug (ID: DMANSCK)

• Drug Name: S-070 Drug Info
• Synonyms: S-158; Targeted synergy program (solid tumor), Sentinel Oncology; Chk1/PARP-1 inhibitors (cancer); Chk1/PARP-1 inhibitors (cancer), Sentinel Oncology

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]

• Cross-matching ID: TTD Drug ID: DMANSCK

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) Targeting Checkpoint kinase-1 (CHK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LY2603618	DMCXRZF	Pancreatic cancer	2C10	Phase 2	[13]
UCN-01	DMUNJZB	Non-small-cell lung cancer	2C25.Y	Phase 2	[14]
SCH-900776	DM67EMK	Solid tumour/cancer	2A00-2F9Z	Phase 2	[15]
LY2606368	DM4XMF7	Ovarian cancer	2C73	Phase 2	[16]
LY2880070	DMADEHZ	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[17]
RG7741	DMK6P9J	Lymphoma	2A80-2A86	Phase 1	[18]
GDC-0425	DMDZ26X	Lymphoma	2A80-2A86	Phase 1	[19]
AZD7762	DM1FW0C	Solid tumour/cancer	2A00-2F9Z	Phase 1	[20]
MK-8776	DMAS1RB	Hodgkin lymphoma	2B30	Phase 1	[21]
Diamidothiazole derivative 1	DM02V5Q	N. A.	N. A.	Patented	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Checkpoint kinase-1 (CHK1)	TTTU902	CHK1_HUMAN	Inhibitor	[1]
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_HUMAN	Inhibitor	[2]

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. (Target id: 1987).
• [2] 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. (Target id: 2771).
• [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] Characterization and preclinical development of LY2603618: a selective and potent Chk1 inhibitor. Invest New Drugs. 2014 Apr;32(2):213-26.
• [14] Characterization of an inhibitory dynamic pharmacophore for the ERCC1-XPA interaction using a combined molecular dynamics and virtual screening app... J Mol Graph Model. 2009 Sep;28(2):113-30.
• [15] Targeting the replication checkpoint using SCH 900776, a potent and functionally selective CHK1 inhibitor identified via high content screening. Mol Cancer Ther. 2011 Apr;10(4):591-602.
• [16] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [17] A phase Ib study of oral Chk1 inhibitor LY2880070 in combination with gemcitabine in patients with advanced or metastatic cancer. Journal of Clinical Oncology 38, no. 15_suppl (May 20, 2020) 3581-3581.
• [18] National Cancer Institute Drug Dictionary (drug id 730054).
• [19] Quantitative assessment of BCL-2:BIM complexes as a pharmacodynamic marker for venetoclax (ABT-199).
• [20] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [21] Chk1 Inhibitor MK-8776 Restores the Sensitivity of Chemotherapeutics in P-glycoprotein Overexpressing Cancer Cells. Int J Mol Sci. 2019 Aug 22;20(17):4095.
• [22] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.