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

General Information of Drug (ID: DMVX063)

• Drug Name: 5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE Drug Info
• Synonyms: 5-Quinoxalin-6-ylmethylene-thiazolidine-2,4-dione; AS-605240; 648450-29-7; AS605240; AS 605240; CHEMBL568150; (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione; (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE; 5-(6-QUINOXALINYLMETHYLENE)-2,4-THIAZOLIDINEDIONE; QYT; (Z)-5-(Quinoxalin-6-ylmethylene)thiazolidine-2,4-dione; PI 3-Kg inhibitor; 2a5u; AC1NRCY0; 5-(quinoxalin-6-ylmethylene)thiazolidine-2,4-dione; SCHEMBL668616; GTPL6023; AOB3848; MolPort-006-169-944; HMS3650I15

Indication

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

• Cross-matching ID:
  PubChem CID: 5289247
  ChEBI ID: CHEBI:45302
  TTD Drug ID: DMVX063

Molecule-Related Drug Atlas

Drug(s) Targeting Monoamine oxidase type B (MAO-B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selegiline Hydrochloride	DM3VR1L	Parkinson disease	8A00.0	Approved	[3]
Phenelzine	DMHIDUE	Depression	6A70-6A7Z	Approved	[4]
Tranylcypromine	DMGB5RE	Major depressive disorder	6A70.3	Approved	[5]
Selegiline	DM6034S	Major depressive disorder	6A70.3	Approved	[6]
Safinamide mesylate	DM0J2ZT	Parkinson disease	8A00.0	Approved	[7]
Rasagiline	DM3WKQ4	Parkinson disease	8A00.0	Approved	[8]
Sulphadoxine	DMZI2UF	Malaria	1F40-1F45	Approved	[9]
Pargyline	DMM0HR1	Hypertension	BA00-BA04	Approved	[10]
Indeloxazine	DMWO3N6	Dementia	6D80-6D86	Approved	[11]
Budipine	DMODHQI	Migraine	8A80	Approved	[12]

Drug(s) Targeting PI3-kinase gamma (PIK3CG)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BAY 80-6946	DMLOS5R	Follicular lymphoma	2A80	Approved	[13]
IPI-145	DMWA24P	Follicular lymphoma	2A80	Approved	[14]
Buparlisib	DM1WEHC	Breast cancer	2C60-2C65	Phase 3	[15]
Enzastaurin	DM5H0R9	Diffuse large B-cell lymphoma	2A81	Phase 3	[16]
Rigosertib	DMOSTXF	Myelodysplastic syndrome	2A37	Phase 3	[17]
GDC-0032	DMT4QHD	Breast cancer	2C60-2C65	Phase 3	[16]
PQR309	DMMCYZ8	Squamous head and neck cell carcinom	2D60.0	Phase 2	[18]
SAR245409	DMQM7IL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[19]
XL147	DMML7BE	Solid tumour/cancer	2A00-2F9Z	Phase 2	[19]
SF1126	DML10K3	Head and neck cancer	2D42	Phase 2	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[2]
PI3-kinase gamma (PIK3CG)	TTHBTOP	PK3CG_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [2] Identification of novel monoamine oxidase B inhibitors by structure-based virtual screening. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5295-8.
• [3] Emerging drugs for Parkinson's disease. Expert Opin Emerg Drugs. 2006 Sep;11(3):403-17.
• [4] Limitation of adipose tissue enlargement in rats chronically treated with semicarbazide-sensitive amine oxidase and monoamine oxidase inhibitors. Pharmacol Res. 2008 Jun;57(6):426-34.
• [5] Tranylcypromine: new perspectives on an "old" drug. Eur Arch Psychiatry Clin Neurosci. 2006 Aug;256(5):268-73.
• [6] 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: 2490).
• [7] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [8] Glyceraldehyde-3-phosphate dehydrogenase-monoamine oxidase B-mediated cell death-induced by ethanol is prevented by rasagiline and 1-R-aminoindan. Neurotox Res. 2009 Aug;16(2):148-59.
• [9] Novel monoamine oxidase inhibitors, 3-(2-aminoethoxy)-1,2-benzisoxazole derivatives, and their differential reversibility. Jpn J Pharmacol. 2002 Feb;88(2):174-82.
• [10] Dose-dependent activation of distinct hypertrophic pathways by serotonin in cardiac cells. Am J Physiol Heart Circ Physiol. 2009 Aug;297(2):H821-8.
• [11] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [12] Multiple mechanisms of action: the pharmacological profile of budipine. J Neural Transm Suppl. 1999;56:83-105.
• [13] BAY 80-6946 is a highly selective intravenous PI3K inhibitor with potent p110 and p110 activities in tumor cell lines and xenograft models.Mol Cancer Ther.2013 Nov;12(11):2319-30.
• [14] PI3K-delta and PI3K-gamma inhibition by IPI-145 abrogates immune responses and suppresses activity in autoimmune and inflammatory disease models. Chem Biol. 2013 Nov 21;20(11):1364-74.
• [15] Targeting the phosphoinositide 3-kinase pathway in cancer. Nat Rev Drug Discov. 2009 Aug;8(8):627-44.
• [16] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [17] Phase I study of oral rigosertib (ON 01910.Na), a dual inhibitor of the PI3K and Plk1 pathways, in adult patients with advanced solid malignancies. Clin Cancer Res. 2014 Mar 15;20(6):1656-65.
• [18] 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: 2155).
• [19] 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: 2156).
• [20] An integrin-targeted, pan-isoform, phosphoinositide-3 kinase inhibitor, SF1126, has activity against multiple myeloma in vivo.Cancer Chemother Pharmacol.2013 Apr;71(4):867-81.