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

General Information of Drug (ID: DM094UH)

• Drug Name: CB-839 Drug Info

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Phase 2	[1]
Renal cell carcinoma	2C90	Phase 2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 2	[1]
leukaemia	2A60-2B33	Phase 1	[2]

• Cross-matching ID:
  PubChem CID: 71577426
  CAS Number: CAS 1439399-58-2
  TTD Drug ID: DM094UH

Molecule-Related Drug Atlas

Drug(s) Targeting Glutaminase (GLS)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID30273516-Compound-39	DMBF3ZE	N. A.	N. A.	Patented	[5]
PMID30273516-Compound-13	DMK9TJP	N. A.	N. A.	Patented	[5]
PMID30273516-Compound-22a	DMVZA0U	N. A.	N. A.	Patented	[5]
PMID30273516-Compound-37	DM8NBJV	N. A.	N. A.	Patented	[5]
PMID30273516-Compound-12	DMIWEZH	N. A.	N. A.	Patented	[5]
PMID30273516-Compound-38	DMRPJBF	N. A.	N. A.	Patented	[5]
PMID30273516-Compound-22b	DMZ5O3K	N. A.	N. A.	Patented	[5]
PMID30273516-Compound-1	DM52MKV	N. A.	N. A.	Patented	[5]
PMID30273516-Compound-15	DMSD647	N. A.	N. A.	Patented	[5]
PMID30273516-Compound-41	DM5UBMJ	N. A.	N. A.	Patented	[5]

Drug(s) Affected By Glutaminase kidney isoform, mitochondrial (GLS)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[6]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[7]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[8]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[9]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[10]
Acetic Acid, Glacial	DM4SJ5Y	infection in the ear canal	AA0Y	Approved	[11]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[12]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[13]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[14]
LY2835219	DM93VBZ	Breast cancer	2C60-2C65	Approved	[15]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutaminase (GLS)	TTCW0KX	GLSK_HUMAN; GLSL_HUMAN	Modulator	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Glutaminase kidney isoform, mitochondrial (GLS)	OTGOZG2M	GLSK_HUMAN	Gene/Protein Processing	[4]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] ClinicalTrials.gov (NCT02071862) Study of the Glutaminase Inhibitor CB-839 in Solid Tumors. U.S. National Institutes of Health.
• [3] Antitumor activity of the glutaminase inhibitor CB-839 in triple-negative breast cancer. Mol Cancer Ther. 2014 Apr;13(4):890-901.
• [4] Dual inhibition of glutaminase and carnitine palmitoyltransferase decreases growth and migration of glutaminase inhibition-resistant triple-negative breast cancer cells. J Biol Chem. 2019 Jun 14;294(24):9342-9357.
• [5] Glutaminase inhibitors: a patent review.Expert Opin Ther Pat. 2018 Nov;28(11):823-835.
• [6] Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
• [7] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [8] Effects of ciglitazone and troglitazone on the proliferation of human stomach cancer cells. World J Gastroenterol. 2009 Jan 21;15(3):310-20.
• [9] Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
• [10] Genomic profiling uncovers a molecular pattern for toxicological characterization of mutagens and promutagens in vitro. Toxicol Sci. 2011 Jul;122(1):185-97.
• [11] Motexafin gadolinium and zinc induce oxidative stress responses and apoptosis in B-cell lymphoma lines. Cancer Res. 2005 Dec 15;65(24):11676-88.
• [12] A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
• [13] Essential role of cell cycle regulatory genes p21 and p27 expression in inhibition of breast cancer cells by arsenic trioxide. Med Oncol. 2011 Dec;28(4):1225-54.
• [14] Large-scale in silico and microarray-based identification of direct 1,25-dihydroxyvitamin D3 target genes. Mol Endocrinol. 2005 Nov;19(11):2685-95.
• [15] Biological specificity of CDK4/6 inhibitors: dose response relationship, in vivo signaling, and composite response signature. Oncotarget. 2017 Jul 4;8(27):43678-43691. doi: 10.18632/oncotarget.18435.