Drug Information

Drug General Information
Drug ID
D0P2OA
Former ID
DNC005838
Drug Name
N-Hydroxycarbamoylmethyl-4-methoxy-benzamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527800]
Structure
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2D MOL

3D MOL
Formula
C10H12N2O4
Canonical SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)NO
InChI
1S/C10H12N2O4/c1-16-8-4-2-7(3-5-8)10(14)11-6-9(13)12-15/h2-5,15H,6H2,1H3,(H,11,14)(H,12,13)
InChIKey
ZJTICILORBZVBV-UHFFFAOYSA-N
PubChem Compound ID
47697
Target and Pathway
Target(s) Interstitial collagenase Target Info Inhibitor [527800]
KEGG Pathway PPAR signaling pathway
Pathways in cancer
Bladder cancer
Rheumatoid arthritis
NetPath Pathway IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database Endothelins
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Glucocorticoid receptor regulatory network
AP-1 transcription factor network
Syndecan-1-mediated signaling events
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Basigin interactions
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
WikiPathways TGF beta Signaling Pathway
Bladder Cancer
Activation of Matrix Metalloproteinases
Degradation of collagen
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Oncostatin M Signaling Pathway
Prostate Cancer
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Cell surface interactions at the vascular wall
Matrix Metalloproteinases
References
Ref 527800J Med Chem. 2005 Oct 20;48(21):6585-96.Receptor flexibility in de novo ligand design and docking.
Ref 527800J Med Chem. 2005 Oct 20;48(21):6585-96.Receptor flexibility in de novo ligand design and docking.

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