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

General Information of Drug (ID: DMGBLI3)

• Drug Name: VS-6063 Drug Info
• Synonyms: Defactinib hydrochloride; 1073160-26-5; Defactinib (hydrochloride); UNII-L2S469LM49; Defactinib hydrochloride [USAN]; L2S469LM49; Defactinib hydrochloride (USAN); Benzamide, N-methyl-4-[[4-[[[3-[methyl(methylsulfonyl)amino]-2-pyrazinyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-, hydrochloride; Defactinib HCl; Benzamide, N-methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)-2-pyrazinyl)methyl)amino)-5-(trifluoromethyl)-2-pyrimidinyl)amino)-, hydrochloride (1:1); Benzamide, N-methyl-4-[[4-[[[3-[methyl(methylsu

Indication

Disease Entry	ICD 11	Status	REF
Mesothelioma	2C51.2	Phase 2	[1]
Ovarian cancer	2C73	Phase 2	[2]
Pancreatic cancer	2C10	Phase 1	[2]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[3]

• Cross-matching ID:
  PubChem CID: 25117126
  CAS Number: CAS 1073154-85-4
  TTD Drug ID: DMGBLI3

Molecule-Related Drug Atlas

Drug(s) Targeting Focal adhesion kinase 1 (FAK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BI-853520	DMNOSYW	Solid tumour/cancer	2A00-2F9Z	Phase 1	[5]
PF-562271	DMSLE03	Solid tumour/cancer	2A00-2F9Z	Phase 1	[6]
VS-4718	DMN9JCD	Solid tumour/cancer	2A00-2F9Z	Phase 1	[7]
GSK-2256098	DMR24MI	Pulmonary arterial hypertension	BB01.0	Phase 1	[8]
CEP-37440	DMV632P	Solid tumour/cancer	2A00-2F9Z	Phase 1	[5]
IN10018	DMPXOVA	Metastatic melanoma	2E2Z	Phase 1	[9]
1,2,4-triazolo[1,5a]pyridine derivative 1	DMIUPSA	N. A.	N. A.	Patented	[10]
BMS-536924	DMXJB4N	Discovery agent	N.A.	Investigative	[11]
PF-228	DM32FKD	Discovery agent	N.A.	Investigative	[12]
PMID23414845C30	DMNVQ29	Discovery agent	N.A.	Investigative	[13]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Focal adhesion kinase 1 (FAK)	TTON5IT	FAK1_HUMAN	Inhibitor	[4]

References

• [1] ClinicalTrials.gov (NCT01870609) Placebo Controlled Study of VS-6063 in Subjects With Malignant Pleural Mesothelioma. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] 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: 7910).
• [4] Role of focal adhesion kinase in regulating YB-1-mediated paclitaxel resistance in ovarian cancer. J Natl Cancer Inst. 2013 Oct 2;105(19):1485-95.
• [5] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [6] Inhibition of focal adhesion kinase by PF-562,271 inhibits the growth and metastasis of pancreatic cancer concomitant with altering the tumor microenvironment. Mol Cancer Ther. 2011 Nov;10(11):2135-45.
• [7] FAK Inhibition disrupts a beta5 integrin signaling axis controlling anchorage-independent ovarian carcinoma growth. Mol Cancer Ther. 2014 Aug;13(8):2050-61.
• [8] A small molecule FAK kinase inhibitor, GSK2256098, inhibits growth and survival of pancreatic ductal adenocarcinoma cells. Cell Cycle. 2014;13(19):3143-9.
• [9] Clinical pipeline report, company report or official report of InxMed.
• [10] Inhibitors of JAK-family kinases: an update on the patent literature 2013-2015, part 1.Expert Opin Ther Pat. 2017 Feb;27(2):127-143.
• [11] Discovery of a (1H-benzoimidazol-2-yl)-1H-pyridin-2-one (BMS-536924) inhibitor of insulin-like growth factor I receptor kinase with in vivo antitum... J Med Chem. 2005 Sep 8;48(18):5639-43.
• [12] Cellular characterization of a novel focal adhesion kinase inhibitor. J Biol Chem. 2007 May 18;282(20):14845-52.
• [13] Structure-based discovery of cellular-active allosteric inhibitors of FAK. Bioorg Med Chem Lett. 2013 Mar 15;23(6):1779-85.