Drug Information

Drug General Information
Drug ID
D03GQI
Former ID
DNC006604
Drug Name
BAS-00387347
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528211]
Structure
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2D MOL

3D MOL
Formula
C16H11IN2O2
Canonical SMILES
C1=CC=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)I
InChI
1S/C16H11IN2O2/c17-12-6-8-13(9-7-12)19-16(21)14(15(20)18-19)10-11-4-2-1-3-5-11/h1-10H,(H,18,20)/b14-10-
InChIKey
KAGAMCCGZCDKMX-UVTDQMKNSA-N
PubChem Compound ID
1049055
Target and Pathway
Target(s) Proto-oncogene tyrosine-protein kinase SRC Target Info Inhibitor [528211]
Proto-oncogene c-Abl Target Info Inhibitor [528211]
KEGG Pathway ErbB signaling pathway
Rap1 signaling pathway
Chemokine signaling pathway
Endocytosis
VEGF signaling pathway
Focal adhesion
Adherens junction
Tight junction
Gap junction
Platelet activation
GABAergic synapse
Inflammatory mediator regulation of TRP channels
Regulation of actin cytoskeleton
GnRH signaling pathway
Estrogen signaling pathway
Prolactin signaling pathway
Thyroid hormone signaling pathway
Oxytocin signaling pathway
Bacterial invasion of epithelial cells
Epithelial cell signaling in Helicobacter pylori infection
Shigellosis
Tuberculosis
Hepatitis B
Viral carcinogenesis
Proteoglycans in cancerhsa04012:ErbB signaling pathway
Ras signaling pathway
Cell cycle
Axon guidance
Neurotrophin signaling pathway
Pathogenic Escherichia coli infection
Pathways in cancer
MicroRNAs in cancer
Chronic myeloid leukemia
Viral myocarditis
NetPath Pathway IL2 Signaling Pathway
PANTHER Pathway Angiogenesis
Cadherin signaling pathway
Integrin signalling pathway
Parkinson disease
CCKR signaling map STP00008:Axon guidance mediated by Slit/Robo
Pathway Interaction Database Endothelins
Signaling events mediated by PRL
LPA receptor mediated events
Atypical NF-kappaB pathway
Glypican 1 network
Plasma membrane estrogen receptor signaling
Signaling events mediated by Hepatocyte Growth Factor Receptor (c-Met)
Signaling events mediated by PTP1B
S1P3 pathway
EPHB forward signaling
Nectin adhesion pathway
Regulation of p38-alpha and p38-beta
CDC42 signaling events
Signaling events regulated by Ret tyrosine kinase
Arf6 signaling events
Signaling events mediated by TCPTP
FAS (CD95) signaling pathway
Thromboxane A2 receptor signaling
Netrin-mediated signaling events
Alpha9 beta1 integrin signaling events
CXCR4-mediated signaling events
EGF receptor (ErbB1) signaling pathway
Class I PI3K signaling events
Posttranslational regulation of adherens junction stability and dissassembly
Regulation of Androgen receptor activity
E-cadherin signaling in the nascent adherens junction
amb2 Integrin signaling
Integrins in angiogenesis
ErbB1 downstream signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
ErbB2/ErbB3 signaling events
EPHA forward signaling
E-cadherin signaling in keratinocytes
PDGFR-beta signaling pathway
Nongenotropic Androgen signaling
Internalization of ErbB1
CXCR3-mediated signaling events
Signaling events mediated by VEGFR1 and VEGFR2
Syndecan-2-mediated signaling events
Class I PI3K signaling events mediated by Akt
Syndecan-3-mediated signaling events
Ephrin B reverse signaling
Trk receptor signaling mediated by PI3K and PLC-gamma
EPHA2 forward signaling
Alpha-synuclein signaling
FGF signaling pathway
Alpha4 beta1 integrin signaling events
Signaling events mediated by focal adhesion kinasep73pathway:p73 transcription factor network
ATM pathway
Regulation of Telomerase
Lissencephaly gene (LIS1) in neuronal migration and development
Neurotrophic factor-mediated Trk receptor signaling
Validated transcriptional targets of TAp63 isoforms
p53 pathway
Regulation of retinoblastoma protein
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 production
WikiPathways ErbB Signaling Pathway
Senescence and Autophagy in Cancer
Notch Signaling Pathway
EPO Receptor Signaling
EGF/EGFR Signaling Pathway
TGF beta Signaling Pathway
Signaling of Hepatocyte Growth Factor Receptor
Kit receptor signaling pathway
Pregnane X Receptor pathway
Aryl Hydrocarbon Receptor Pathway
IL-3 Signaling Pathway
Nanoparticle-mediated activation of receptor signaling
Polycystic Kidney Disease Pathway
Alpha 6 Beta 4 signaling pathway
BDNF signaling pathway
Integrated Pancreatic Cancer Pathway
Oncostatin M Signaling Pathway
Interleukin-11 Signaling Pathway
AGE/RAGE pathway
Signaling Pathways in Glioblastoma
TSLP Signaling Pathway
Arylhydrocarbon receptor (AhR) signaling pathway
Regulation of Microtubule Cytoskeleton
FSH signaling pathway
Leptin signaling pathway
RANKL/RANK Signaling Pathway
Integrin-mediated Cell Adhesion
Angiogenesis
Androgen receptor signaling pathwayWP2864:Apoptosis-related network due to altered Notch3 in ovarian cancer
Fcgamma receptor (FCGR) dependent phagocytosis
ATM Signaling Pathway
Retinoblastoma (RB) in Cancer
Pathogenic Escherichia coli infection
Integrated Breast Cancer Pathway
Signaling by Robo receptor
Myogenesis
Factors involved in megakaryocyte development and platelet production
References
Ref 528211J Med Chem. 2006 Jun 1;49(11):3278-86.A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitors.
Ref 528211J Med Chem. 2006 Jun 1;49(11):3278-86.A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitors.

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