Drug Information

Drug General Information
Drug ID
D06BYR
Former ID
DNC005841
Drug Name
N-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-butyramide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527800]
Structure
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2D MOL

3D MOL
Formula
C16H15NO4
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CCC(=O)NO
InChI
1S/C16H15NO4/c18-15(10-11-16(19)17-20)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,20H,10-11H2,(H,17,19)
InChIKey
NOELKUBXWDTLKR-UHFFFAOYSA-N
PubChem Compound ID
44404478
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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