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

General Information of Drug (ID: DMBTMO9)

• Drug Name: BMS-645737 Drug Info
• Synonyms: 651744-16-0; BMS-645737; BMS645737; 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; UNII-86H6HFH34L; 86H6HFH34L; CHEMBL261592; 6-(5-methyl-1,3,4-oxadiazol-2-yl)-n-{2-methyl-1h-pyrrolo[2,3-b]pyridin-5-yl}-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; 5-Isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo-[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; C20H20N8O

Indication

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

• Cross-matching ID:
  PubChem CID: 22273644
  CAS Number: CAS 651744-16-0
  TTD Drug ID: DMBTMO9

Molecule-Related Drug Atlas

Drug(s) Targeting Voltage-gated potassium channel Kv11.1 (KCNH2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
VESNARINONE	DMBKX3C	Cardiac failure	BD10-BD13	Approved	[2]
M100907	DM7ZFBA	Sleep-wake disorder	7A00-7B2Z	Phase 3	[3]
HP-184	DMNOMV2	Multiple sclerosis	8A40	Phase 2	[4]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[5]
ABT-229	DMN3S1B	Pain	MG30-MG3Z	Phase 2	[6]
ISOQUINE	DMR17YI	Malaria	1F40-1F45	Phase 1	[7]
Pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazine derivative 1	DMC8935	N. A.	N. A.	Patented	[8]
Isoindoline derivative 5	DMIUTQW	N. A.	N. A.	Patented	[9]
Isoindoline derivative 3	DM2MYL9	N. A.	N. A.	Patented	[9]
Isoindoline derivative 4	DMP1NKI	N. A.	N. A.	Patented	[9]

Drug(s) Targeting Vascular endothelial growth factor receptor 2 (KDR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[10]
Romiplostim	DM3U7SZ	Thrombocytopenia	3B64	Approved	[11]
Regorafenib	DMHSY1I	Gastrointestinal stromal tumour	2B5B	Approved	[12]
Sunitinib	DMCBJSR	Acute undifferentiated leukemia		Approved	[13]
Axitinib	DMGVH6N	Renal cell carcinoma	2C90	Approved	[14]
Vandetanib	DMRICNP	Solid tumour/cancer	2A00-2F9Z	Approved	[15]
Pazopanib HCl	DM6U9CQ	Renal cell carcinoma	2C90	Approved	[16]
Fruquintinib	DMHOSCQ	Colorectal cancer	2B91.Z	Approved	[17]
Cabozantinib	DMIYDT4	Medullary thyroid gland carcinoma		Approved	[18]
Tivozanib	DMUKC5L	Renal cell carcinoma	2C90	Approved	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

References

• [1] Discovery and preclinical studies of 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]t... Bioorg Med Chem Lett. 2008 May 1;18(9):2985-9.
• [2] Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods. Bioorg Med Chem Lett. 2003 Aug 18;13(16):2773-5.
• [3] Non-basic ligands for aminergic GPCRs: the discovery and development diaryl sulfones as selective, orally bioavailable 5-HT2A receptor antagonists ... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3708-12.
• [4] Emerging drugs for spinal cord injury. Expert Opin Emerg Drugs. 2008 Mar;13(1):63-80.
• [5] Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
• [6] 9-Dihydroerythromycin ethers as motilin agonists--developing structure-activity relationships for potency and safety. Bioorg Med Chem. 2010 Nov 1;18(21):7651-8.
• [7] Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for ... J Med Chem. 2009 Mar 12;52(5):1408-15.
• [8] Towards selective phosphodiesterase 2A (PDE2A) inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2016 Aug;26(8):933-46.
• [9] The sigma-2 (-2) receptor: a review of recent patent applications: 2013-2018.Expert Opin Ther Pat. 2018 Sep;28(9):655-663.
• [10] Preclinical overview of sorafenib, a multikinase inhibitor that targets both Raf and VEGF and PDGF receptor tyrosine kinase signaling.Mol Cancer Ther.2008 Oct;7(10):3129-40.
• [11] Anthranilic acid amides: a novel class of antiangiogenic VEGF receptor kinase inhibitors. J Med Chem. 2002 Dec 19;45(26):5687-93.
• [12] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [13] 2006 drug approvals: finding the niche. Nat Rev Drug Discov. 2007 Feb;6(2):99-101.
• [14] Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
• [15] A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
• [16] Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
• [17] Discovery of fruquintinib, a potent and highly selective small molecule inhibitor of VEGFR 1, 2, 3 tyrosine kinases for cancer therapy. Cancer Biol Ther. 2014;15(12):1635-45.
• [18] Clinical pipeline report, company report or official report of Exelixis (2011).
• [19] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services