Drug Information

Drug General Information
Drug ID
D02BXJ
Former ID
DIB019612
Drug Name
compound 8h
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531471]
Structure
Download
2D MOL
Formula
C30H33F3N6O3
InChI
InChI=1S/C30H33F3N6O3/c1-20-4-5-22(16-21(20)7-9-25-18-35-27(37(25)3)29(42)34-2)28(41)36-24-8-6-23(26(17-24)30(31,32)33)19-39-12-10-38(11-13-39)14-15-40/h4-6,8,16-18,40H,10-15,19H2,1-3H3,(H,34,42)(H,36,41)
InChIKey
SUXYGJZMCWKJJI-UHFFFAOYSA-N
PubChem Compound ID
46864270
PubChem Substance ID
99303210, 131274828, 131348510, 180423284, 249565850
Target and Pathway
Target(s) mRNA of Abl Target Info Inhibitor [531471]
Ephrin type-A receptor 2 Target Info Inhibitor [531471]
Alpha platelet-derived growth factor receptor Target Info Inhibitor [531471]
Angiopoietin 1 receptor Target Info Inhibitor [531471]
Proto-oncogene tyrosine-protein kinase receptor ret Target Info Inhibitor [531471]
Epha3 tyrosine kinase receptor Target Info Inhibitor [531471]
EPH receptor A7 Target Info Inhibitor [531471]
KEGG Pathway ErbB signaling pathway
Ras signaling pathway
Cell cycle
Axon guidance
Neurotrophin signaling pathway
Pathogenic Escherichia coli infection
Shigellosis
Pathways in cancer
MicroRNAs in cancer
Chronic myeloid leukemia
Viral myocarditishsa04014:Ras signaling pathway
Rap1 signaling pathway
PI3K-Akt signaling pathway
Axon guidancehsa04010:MAPK signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
Endocytosis
Focal adhesion
Gap junction
Regulation of actin cytoskeleton
HTLV-I infection
Glioma
Prostate cancer
Melanoma
Central carbon metabolism in cancer
Choline metabolism in cancerhsa04014:Ras signaling pathway
HIF-1 signaling pathway
Rheumatoid arthritishsa04144:Endocytosis
Thyroid cancer
Central carbon metabolism in cancerhsa04360:Axon guidance
NetPath Pathway TGF_beta_Receptor Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling PathwayNetPath_8:Wnt Signaling Pathway
PANTHER Pathway Axon guidance mediated by Slit/RoboP00005:Angiogenesis
PDGF signaling pathwayP00005:Angiogenesis
Pathway Interaction Database p73 transcription factor network
ATM pathway
Regulation of Telomerase
Posttranslational regulation of adherens junction stability and dissassembly
Lissencephaly gene (LIS1) in neuronal migration and development
PDGFR-beta signaling pathway
Neurotrophic factor-mediated Trk receptor signaling
Validated transcriptional targets of TAp63 isoforms
p53 pathway
Regulation of retinoblastoma proteinephrina_ephapathway:EphrinA-EPHA pathway
Arf6 signaling events
Direct p53 effectors
EPHA forward signaling
Stabilization and expansion of the E-cadherin adherens junction
EPHA2 forward signalingatf2_pathway:ATF-2 transcription factor network
PDGFR-alpha signaling pathway
PDGF receptor signaling networkangiopoietinreceptor_pathway:Angiopoietin receptor Tie2-mediated signaling
SHP2 signalingret_pathway:Signaling events regulated by Ret tyrosine kinase
Posttranslational regulation of adherens junction stability and dissassemblyephrina_ephapathway:EphrinA-EPHA pathway
Reactome Regulation of actin dynamics for phagocytic cup formation
CDO in myogenesis
RHO GTPases Activate WASPs and WAVEs
HDR through Single Strand Annealing (SSA)
Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks
Factors involved in megakaryocyte development and platelet productionR-HSA-2682334:EPH-Ephrin signaling
EPHA-mediated growth cone collapse
EPH-ephrin mediated repulsion of cellsR-HSA-1257604:PIP3 activates AKT signaling
Constitutive Signaling by Aberrant PI3K in Cancer
RAF/MAP kinase cascadeR-HSA-210993:Tie2 Signaling
RAF/MAP kinase cascadeR-HSA-2682334:EPH-Ephrin signaling
EPH-ephrin mediated repulsion of cells
WikiPathways DNA Damage Response (only ATM dependent)
DNA Damage Response
ErbB Signaling Pathway
EGF/EGFR Signaling Pathway
Apoptosis-related network due to altered Notch3 in ovarian cancer
Fcgamma receptor (FCGR) dependent phagocytosis
ATM Signaling Pathway
Retinoblastoma (RB) in Cancer
Integrated Pancreatic Cancer Pathway
Pathogenic Escherichia coli infection
Regulation of Microtubule Cytoskeleton
Integrated Breast Cancer Pathway
Signaling by Robo receptor
Myogenesis
Factors involved in megakaryocyte development and platelet production
TP53 Network
miRNAs involved in DNA damage response
miRNA Regulation of DNA Damage ResponseWP2884:NRF2 pathwayWP51:Regulation of Actin Cytoskeleton
Osteoblast Signaling
Focal Adhesion
Hair Follicle Development: Organogenesis (Part 2 of 3)
PIP3 activates AKT signaling
Cardiac Progenitor Differentiation
Allograft Rejection
Signaling Pathways in Glioblastoma
Signaling by PDGF
AngiogenesisWP363:Wnt Signaling Pathway Netpath
Cell surface interactions at the vascular wall
AngiogenesisWP706:SIDS Susceptibility Pathways
Dopaminergic NeurogenesisWP2884:NRF2 pathway
References
Ref 531471Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3743-8.
Ref 531471Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3743-8.

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