TTD | Drug: D02BXJ

Drug General Information
Drug ID	D02BXJ
Former ID	DIB019612
Drug Name	compound 8h
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531471]
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
PANTHER Pathway	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 531471	Discovery 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 531471	Discovery 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.

If you find any error in data or bug in web service, please kindly report it to Dr. Tang and Dr. Mou.

Drug Information