Drug Information

Drug General Information
Drug ID
D02XNW
Former ID
DCL000259
Drug Name
VX-680
Synonyms
Tozasertib; MK 0457; VX 680; VX6; L-001281814; MK-045; MK-0457; Tozasertib (USAN); VX-68; MK-0457, Tozasertib, VX680, VX-680; 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; Cyclopropanecarboxylic acid N-(4-((4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl)sulfanyl)phenyl)amide; Cyclopropane carboxylic acid{4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl}-amide; Cyclopropanecarboxylic Acid {4-[4-(4-Methyl-Piperazin-1-Yl)-6-(5-Methyl-2h-Pyrazol-3-Ylamino)-Pyrimidin-2-Ylsulfanyl]-Phenyl}-Amide
Drug Type
Small molecular drug
Indication Solid tumours [ICD9: 140-199, 210-229; ICD10:C00-D48] Phase 2 [526974], [541056]
Therapeutic Class
Anticancer Agents
Company
Vertex; Merck
Structure
Download
2D MOL

3D MOL
Formula
C23H28N8OS
InChI
InChI=1S/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)
InChIKey
GCIKSSRWRFVXBI-UHFFFAOYSA-N
PubChem Compound ID
5494449
PubChem Substance ID
8149119, 10318339, 14907233, 22422965, 26683796, 39475635, 46394087, 46513935, 47160775, 49645761, 50100121, 51011682, 56355104, 57364809, 85246166, 91148021, 96024966, 99436958, 103023875, 103573134, 103905648, 114002454, 118844926, 123393021, 124756118, 124756963, 124788446, 125163769, 125333975, 126584085, 126647927, 126666957, 126728331, 131465120, 134221893, 134338916, 134964437, 135196779, 135631693, 135685114, 135685412, 135685413, 135685430, 135686018, 135686019, 135686032, 135686033, 136340127, 136367731, 137185042
Target and Pathway
Target(s) Aurora kinase A Target Info Inhibitor [536474], [537553]
Lck tyrosine kinase Target Info Inhibitor [536474], [537553]
Aurora kinase B Target Info Inhibitor [536474], [537553]
KEGG Pathway Oocyte meiosishsa04064:NF-kappa B signaling pathway
Osteoclast differentiation
Natural killer cell mediated cytotoxicity
T cell receptor signaling pathway
HTLV-I infection
Primary immunodeficiency
NetPath Pathway TCR Signaling Pathway
IL2 Signaling Pathway
PANTHER Pathway Parkinson disease
T cell activation
Pathway Interaction Database Aurora B signaling
Signaling by Aurora kinases
Integrin-linked kinase signaling
PLK1 signaling events
Aurora A signalingnfkappabatypicalpathway:Atypical NF-kappaB pathway
Glypican 1 network
TCR signaling in na&#xef
Signaling events mediated by PTP1B
IL12-mediated signaling events
Regulation of p38-alpha and p38-beta
TCR signaling in na&#xef
Thromboxane A2 receptor signaling
SHP2 signaling
IL2-mediated signaling events
CXCR4-mediated signaling events
Class I PI3K signaling events
IL2 signaling events mediated by PI3K
amb2 Integrin signaling
EPHA forward signaling
PDGFR-beta signaling pathway
IL2 signaling events mediated by STAT5
Ephrin B reverse signaling
Alpha-synuclein signalingaurora_b_pathway:Aurora B signaling
Aurora C signaling
FOXM1 transcription factor network
Aurora A signaling
Reactome APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1
Regulation of PLK1 Activity at G2/M TransitionR-HSA-114604:GPVI-mediated activation cascade
PIP3 activates AKT signaling
Regulation of KIT signaling
Phosphorylation of CD3 and TCR zeta chains
Translocation of ZAP-70 to Immunological synapse
Generation of second messenger molecules
PECAM1 interactions
Constitutive Signaling by Aberrant PI3K in Cancer
DAP12 signaling
CD28 co-stimulation
CD28 dependent PI3K/Akt signaling
CD28 dependent Vav1 pathway
CTLA4 inhibitory signaling
PD-1 signaling
Interleukin-2 signalingR-HSA-174178:APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1
Separation of Sister Chromatids
Resolution of Sister Chromatid Cohesion
RHO GTPases Activate Formins
Mitotic Prometaphase
WikiPathways EGF/EGFR Signaling Pathway
JAK/STAT
Gastric Cancer Network 1
Integrated Breast Cancer Pathway
APC/C-mediated degradation of cell cycle proteinsWP61:Notch Signaling Pathway
Interferon type I signaling pathways
IL-2 Signaling Pathway
Inflammatory Response Pathway
Signaling by SCF-KIT
DAP12 interactions
Host Interactions of HIV factors
PIP3 activates AKT signaling
T-Cell Receptor and Co-stimulatory Signaling
B Cell Receptor Signaling Pathway
TSLP Signaling Pathway
TCR signaling
Costimulation by the CD28 familyWP2757:Mitotic Metaphase and Anaphase
Mitotic Prometaphase
Regulation of Microtubule Cytoskeleton
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
APC/C-mediated degradation of cell cycle proteins
References
Ref 526974Nat Med. 2004 Mar;10(3):262-7. Epub 2004 Feb 22.VX-680, a potent and selective small-molecule inhibitor of the Aurora kinases, suppresses tumor growth in vivo.
Ref 541056(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: 5718).
Ref 536474A 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.
Ref 537553Essential roles of mTOR/Akt pathway in Aurora-A cell transformation. Int J Biol Sci. 2009 Jun 19;5(5):444-50.

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