Drug Information

Drug General Information
Drug ID
D0QY0V
Former ID
DNC004532
Drug Name
SEMAXINIB
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
Download
2D MOL

3D MOL
Formula
C15H14N2O
Canonical SMILES
CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C
InChI
1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
InChIKey
WUWDLXZGHZSWQZ-WQLSENKSSA-N
PubChem Compound ID
5329098
Target and Pathway
Target(s) Beta platelet-derived growth factor receptor Target Info Inhibitor [2]
Basic fibroblast growth factor receptor 1 Target Info Inhibitor [1]
Alpha platelet-derived growth factor receptor Target Info Inhibitor [2]
Vascular endothelial growth factor receptor 1 Target Info Inhibitor [1]
Mast/stem cell growth factor receptor Target Info Inhibitor [3]
Vascular endothelial growth factor receptor 2 Target Info Inhibitor [1]
mRNA of VEGFR1 Target Info Inhibitor [3]
Proto-oncogene tyrosine-protein kinase receptor ret Target Info Inhibitor [4]
KEGG Pathway MAPK signaling pathway
Ras signaling pathway
Rap1 signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
PI3K-Akt signaling pathway
Focal adhesion
Gap junction
Regulation of actin cytoskeleton
HTLV-I infection
Pathways in cancer
MicroRNAs in cancer
Glioma
Prostate cancer
Melanoma
Central carbon metabolism in cancer
Choline metabolism in cancerhsa04010:MAPK signaling pathway
Adherens junction
Signaling pathways regulating pluripotency of stem cells
Proteoglycans in cancer
Central carbon metabolism in cancerhsa04010:MAPK signaling pathway
Endocytosis
Choline metabolism in cancerhsa04014:Ras signaling pathway
HIF-1 signaling pathway
Transcriptional misregulation in cancer
Rheumatoid arthritishsa04014:Ras signaling pathway
Hematopoietic cell lineage
Melanogenesis
Acute myeloid leukemia
Central carbon metabolism in cancerhsa04014:Ras signaling pathway
VEGF signaling pathway
Proteoglycans in cancerhsa04014:Ras signaling pathway
Rheumatoid arthritishsa04144:Endocytosis
Thyroid cancer
NetPath Pathway TCR Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling PathwayNetPath_15:IL3 Signaling Pathway
IL4 Signaling Pathway
KitReceptor Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Angiogenesis
PDGF signaling pathwayP00005:Angiogenesis
FGF signaling pathwayP00005:Angiogenesis
VEGF signaling pathway
Pathway Interaction Database Signaling events mediated by PTP1B
Beta3 integrin cell surface interactions
S1P3 pathway
Nectin adhesion pathway
Signaling events mediated by TCPTP
SHP2 signaling
S1P1 pathway
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
PDGFR-beta signaling pathway
Validated targets of C-MYC transcriptional repression
PDGF receptor signaling networkglypican_1pathway:Glypican 1 network
Syndecan-4-mediated signaling events
N-cadherin signaling events
FGF signaling pathwayatf2_pathway:ATF-2 transcription factor network
PDGFR-alpha signaling pathway
HIF-2-alpha transcription factor network
VEGF and VEGFR signaling network
VEGFR1 specific signals
Signaling events mediated by VEGFR1 and VEGFR2cmyb_pathway:C-MYB transcription factor network
Signaling events mediated by Stem cell factor receptor (c-Kit)hif2pathway:HIF-2-alpha transcription factor network
Integrins in angiogenesis
Signaling events mediated by VEGFR1 and VEGFR2
Notch-mediated HES/HEY networkglypican_1pathway:Glypican 1 network
Signaling events mediated by VEGFR1 and VEGFR2ret_pathway:Signaling events regulated by Ret tyrosine kinase
Posttranslational regulation of adherens junction stability and dissassembly
Reactome PIP3 activates AKT signaling
Constitutive Signaling by Aberrant PI3K in Cancer
RAF/MAP kinase cascadeR-HSA-1257604:PIP3 activates AKT signaling
RAF/MAP kinase cascadeR-HSA-194306:Neurophilin interactions with VEGF and VEGFR
VEGF binds to VEGFR leading to receptor dimerizationR-HSA-1257604:PIP3 activates AKT signaling
Regulation of KIT signaling
VEGF binds to VEGFR leading to receptor dimerization
Integrin cell surface interactions
EPHA-mediated growth cone collapse
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferationR-HSA-194306:Neurophilin interactions with VEGF and VEGFR
WikiPathways Regulation of Actin Cytoskeleton
MAPK Signaling Pathway
Osteoblast Signaling
Focal Adhesion
PIP3 activates AKT signaling
PDGF Pathway
Signaling Pathways in Glioblastoma
Signaling by PDGFWP51:Regulation of Actin Cytoskeleton
Endochondral Ossification
Mesodermal Commitment Pathway
Hair Follicle Development: Induction (Part 1 of 3)
Integrated Pancreatic Cancer Pathway
Neural Crest Differentiation
Signaling by FGFRWP51:Regulation of Actin Cytoskeleton
Hair Follicle Development: Organogenesis (Part 2 of 3)
Cardiac Progenitor Differentiation
Allograft Rejection
Signaling by PDGF
AngiogenesisWP306:Focal Adhesion
Signaling by VEGF
AngiogenesisWP304:Kit receptor signaling pathway
Differentiation Pathway
Signaling by SCF-KIT
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBaseWP306:Focal Adhesion
Nifedipine Activity
AngiogenesisWP706:SIDS Susceptibility Pathways
Dopaminergic Neurogenesis
References
REF 1J Med Chem. 2002 Dec 19;45(26):5687-93.Anthranilic acid amides: a novel class of antiangiogenic VEGF receptor kinase inhibitors.
REF 2J Med Chem. 2003 Mar 27;46(7):1116-9.Discovery of 5-[5-fluoro-2-oxo-1,2- dihydroindol-(3Z)-ylidenemethyl]-2,4- dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide, a novel tyrosine kinase inhibitor targeting vascular endothelial and platelet-derived growth factor receptor tyrosine kinase.
REF 3J Med Chem. 2000 Jun 15;43(12):2310-23.New anilinophthalazines as potent and orally well absorbed inhibitors of the VEGF receptor tyrosine kinases useful as antagonists of tumor-driven angiogenesis.
REF 4Bioorg Med Chem. 2010 Feb 15;18(4):1482-96. Epub 2010 Jan 11.Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.

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