Therapeutic Targets Database
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TTD Drug ID: DCL000259

Drug Information
NameVX-680
SynonymsVX-680; MK 0457; Cyclopropanecarboxylic acid N-(4-((4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl)sulfanyl)phenyl)amide; Cyclopropanecarboxylic Acid {4-[4-(4-Methyl-Piperazin-1-Yl)-6-(5-Methyl-2h-Pyrazol-3-Ylamino)-Pyrimidin-2-Ylsulfanyl]-Phenyl}-Amide; VX6; Tozasertib (USAN); AC1NUV5F; VX-68; Cyclopropanecarboxamide, N-(4-((4-(4-methyl-1-piperazinyl)-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyrimidinyl)thio)phenyl)-; MLS001065920; CID5494449; CHEMBL572878; L-001281814; Kinome_3803; S1048_Selleck; Tozasertib; ST51054127; Cyclopropane carboxylic acid{4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl}-amide; 2f4j; MK-0457, Tozasertib, VX680, VX-680; NSC745967; EC-000.2365; MK-045; SMR000486395; D08279; VX 680; 639089-54-6; MK-0457; I14-1964; N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide; N-(4-(4-(3-methyl-1H-pyrazol-5-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide
CompanyVertex/Merck
IndicationChronic Myelogenous Leukemia; Leukemia; Lymphoblastic, Acute, Philadelphia-Positive
[ICD9: 205.1, 208.9   ICD10: C91-C95, C92.1]
Terminated in Phase I    
Leukemia
[ICD9: 208.9   ICD10: C91-C95]
Terminated in Phase II    
Structure

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InChI1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12
-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14
,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
InChIKeyGCIKSSRWRFVXBI-UHFFFAOYSA-N
Canonical SMILESCC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5    
Therapeutic ClassAntineoplastic Agents
PubChem Compound IDCID 5494449.
PubChem Substance IDSID 3821044.
ClinicalTrials.govNCT00405054;
NCT00500006;
TargetAurora-AInhibitor[1][2]
Aurora-AMultitarget[1][2]
Aurora-BInhibitor[1][2]
Aurora-BMultitarget[1][2]
Proto-oncogene tyrosine-protein kinase LCKInhibitor[1][2]
Proto-oncogene tyrosine-protein kinase LCKMultitarget[1][2]
Ref 1A 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. To Reference
Ref 2Essential roles of mTOR/Akt pathway in Aurora-A cell transformation. Int J Biol Sci. 2009 Jun 19;5(5):444-50. To Reference



 

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