Drug Information

Drug General Information
Drug ID
D01OKF
Former ID
DNC010362
Drug Name
4-(Bis(2-chloroethyl)amino)-N-p-tolylbenzamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530574]
Structure
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2D MOL

3D MOL
Formula
C18H20Cl2N2O
Canonical SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N(CCCl)CCCl
InChI
1S/C18H20Cl2N2O/c1-14-2-6-16(7-3-14)21-18(23)15-4-8-17(9-5-15)22(12-10-19)13-11-20/h2-9H,10-13H2,1H3,(H,21,23)
InChIKey
YUHSPIYJWBBMHU-UHFFFAOYSA-N
PubChem Compound ID
46207013
Target and Pathway
Target(s) mRNA of HER2 Target Info Inhibitor [530574]
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 cancer
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Cadherin signaling 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 repression
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 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 interactions
References
Ref 530574Bioorg Med Chem. 2010 Jan 15;18(2):880-6. Epub 2009 Nov 22.Synthesis, biological evaluation and molecular docking studies of amide-coupled benzoic nitrogen mustard derivatives as potential antitumoragents.
Ref 530574Bioorg Med Chem. 2010 Jan 15;18(2):880-6. Epub 2009 Nov 22.Synthesis, biological evaluation and molecular docking studies of amide-coupled benzoic nitrogen mustard derivatives as potential antitumoragents.

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