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

General Information of Drug (ID: DMYA4D2)

• Drug Name: 6-(3-aminopropyl)benzo[h]isoquinolin-1(2H)-one Drug Info
• Synonyms: CHEMBL250222; 6-(3-aminopropyl)benzo[h]isoquinolin-1(2H)-one; SCHEMBL13659560

Indication

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

• Cross-matching ID:
  PubChem CID: 44443516
  TTD Drug ID: DMYA4D2

Molecule-Related Drug Atlas

Drug(s) Targeting Checkpoint kinase-1 (CHK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LY2603618	DMCXRZF	Pancreatic cancer	2C10	Phase 2	[2]
UCN-01	DMUNJZB	Non-small-cell lung cancer	2C25.Y	Phase 2	[3]
SCH-900776	DM67EMK	Solid tumour/cancer	2A00-2F9Z	Phase 2	[4]
LY2606368	DM4XMF7	Ovarian cancer	2C73	Phase 2	[5]
LY2880070	DMADEHZ	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[6]
RG7741	DMK6P9J	Lymphoma	2A80-2A86	Phase 1	[7]
GDC-0425	DMDZ26X	Lymphoma	2A80-2A86	Phase 1	[8]
AZD7762	DM1FW0C	Solid tumour/cancer	2A00-2F9Z	Phase 1	[9]
MK-8776	DMAS1RB	Hodgkin lymphoma	2B30	Phase 1	[10]
Diamidothiazole derivative 1	DM02V5Q	N. A.	N. A.	Patented	[11]

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]

References

• [1] Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6280-5.
• [2] Characterization and preclinical development of LY2603618: a selective and potent Chk1 inhibitor. Invest New Drugs. 2014 Apr;32(2):213-26.
• [3] 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.
• [4] 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.
• [5] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [6] 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.
• [7] National Cancer Institute Drug Dictionary (drug id 730054).
• [8] Quantitative assessment of BCL-2:BIM complexes as a pharmacodynamic marker for venetoclax (ABT-199).
• [9] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [10] 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.
• [11] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.