Drug Information

Drug General Information
Drug ID
D00TZD
Former ID
DNC006213
Drug Name
CL-387785
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528037]
Structure
Download
2D MOL

3D MOL
Formula
C18H13BrN4O
Canonical SMILES
CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br
InChI
1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)
InChIKey
BTYYWOYVBXILOJ-UHFFFAOYSA-N
PubChem Compound ID
2776
Target and Pathway
Target(s) mRNA of HER2 Target Info Inhibitor [528037]
Epidermal growth factor receptor Target Info Inhibitor [529935]
mRNA of HER4 Target Info Inhibitor [528037]
KEGG Pathway ErbB signaling pathway
Calcium signaling pathway
HIF-1 signaling pathway
Focal adhesion
Adherens junction
Pathways in cancer
Proteoglycans in cancer
MicroRNAs in cancer
Pancreatic cancer
Endometrial cancer
Prostate cancer
Bladder cancer
Non-small cell lung cancer
Central carbon metabolism in cancerhsa04010:MAPK signaling pathway
Ras signaling pathway
Rap1 signaling pathway
Cytokine-cytokine receptor interaction
FoxO signaling pathway
Endocytosis
PI3K-Akt signaling pathway
Dorso-ventral axis formation
Gap junction
Regulation of actin cytoskeleton
GnRH signaling pathway
Estrogen signaling pathway
Oxytocin signaling pathway
Epithelial cell signaling in Helicobacter pylori infection
Hepatitis C
Glioma
Melanoma
Central carbon metabolism in cancer
Choline metabolism in cancerhsa04012:ErbB signaling pathway
NetPath Pathway TCR Signaling PathwayNetPath_16:IL4 Signaling Pathway
EGFR1 Signaling Pathway
PANTHER Pathway Cadherin signaling pathway
EGF receptor signaling pathwayP00012:Cadherin signaling pathway
EGF receptor signaling pathwayP00004:Alzheimer disease-presenilin pathway
EGF receptor signaling pathway
Pathway Interaction Database ErbB4 signaling events
ErbB2/ErbB3 signaling events
ErbB receptor signaling network
a6b1 and a6b4 Integrin signaling
Validated targets of C-MYC transcriptional repressionlysophospholipid_pathway:LPA receptor mediated events
Signaling events mediated by PTP1B
Arf6 signaling events
Signaling events mediated by TCPTP
Thromboxane A2 receptor signaling
SHP2 signaling
Regulation of Telomerase
EGF receptor (ErbB1) signaling pathway
EGFR-dependent Endothelin signaling events
Posttranslational regulation of adherens junction stability and dissassembly
Direct p53 effectors
ErbB1 downstream signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
E-cadherin signaling in keratinocytes
Internalization of ErbB1
Stabilization and expansion of the E-cadherin adherens junction
Syndecan-3-mediated signaling events
PathWhiz Pathway Phosphatidylinositol Phosphate Metabolism
Reactome SHC1 events in ERBB2 signaling
PLCG1 events in ERBB2 signaling
PIP3 activates AKT signaling
GRB2 events in ERBB2 signaling
PI3K events in ERBB2 signaling
Constitutive Signaling by Aberrant PI3K in Cancer
Sema4D induced cell migration and growth-cone collapse
RAF/MAP kinase cascadeR-HSA-1236382:Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants
GRB2 events in EGFR signaling
GAB1 signalosome
SHC1 events in EGFR signaling
EGFR downregulation
EGFR Transactivation by Gastrin
Constitutive Signaling by EGFRvIII
RAF/MAP kinase cascade
WikiPathways DNA Damage Response (only ATM dependent)
ErbB Signaling Pathway
EGF/EGFR Signaling Pathway
Extracellular vesicle-mediated signaling in recipient cells
Bladder Cancer
Signaling by ERBB2
Integrated Pancreatic Cancer Pathway
Signaling Pathways in Glioblastoma
Leptin signaling pathway
miR-targeted genes in muscle cell - TarBase
Semaphorin interactionsWP673:ErbB Signaling Pathway
Regulation of Actin Cytoskeleton
MAPK Signaling Pathway
Focal Adhesion
Aryl Hydrocarbon Receptor Pathway
TCA Cycle Nutrient Utilization and Invasiveness of Ovarian Cancer
Hair Follicle Development: Cytodifferentiation (Part 3 of 3)
Hair Follicle Development: Induction (Part 1 of 3)
Signaling by ERBB4
Gastrin-CREB signalling pathway via PKC and MAPK
PIP3 activates AKT signaling
Nanoparticle-mediated activation of receptor signaling
Aryl Hydrocarbon Receptor
Spinal Cord Injury
Gastric cancer network 2
AGE/RAGE pathway
Arylhydrocarbon receptor (AhR) signaling pathway
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
Integrated Breast Cancer Pathway
Signaling by EGFR
L1CAM interactionsWP673:ErbB Signaling Pathway
EV release from cardiac cells and their functional effects
References
Ref 528037J Med Chem. 2006 Feb 23;49(4):1475-85.Tyrosine kinase inhibitors. 19. 6-Alkynamides of 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as irreversible inhibitors of the erbB family of tyrosine kinase receptors.
Ref 528037J Med Chem. 2006 Feb 23;49(4):1475-85.Tyrosine kinase inhibitors. 19. 6-Alkynamides of 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as irreversible inhibitors of the erbB family of tyrosine kinase receptors.
Ref 529935J Med Chem. 2009 Feb 26;52(4):964-75.Computational studies of epidermal growth factor receptor: docking reliability, three-dimensional quantitative structure-activity relationship analysis, and virtual screening studies.

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