Drug Information

Drug General Information
Drug ID
D09XUQ
Former ID
DNC004623
Drug Name
3-(4-Methoxy-benzenesulfonyl)-hexane-1-thiol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525485]
Structure
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2D MOL

3D MOL
Formula
C13H20O3S2
Canonical SMILES
CCCC(CCS)S(=O)(=O)C1=CC=C(C=C1)OC
InChI
1S/C13H20O3S2/c1-3-4-12(9-10-17)18(14,15)13-7-5-11(16-2)6-8-13/h5-8,12,17H,3-4,9-10H2,1-2H3
InChIKey
SHMJSERYBLZGBT-UHFFFAOYSA-N
PubChem Compound ID
19366844
Target and Pathway
Target(s) Collagenase 3 Target Info Inhibitor [525485]
Interstitial collagenase Target Info Inhibitor [525485]
KEGG Pathway PPAR signaling pathway
Pathways in cancer
Bladder cancer
Rheumatoid arthritis
NetPath Pathway IL1 Signaling PathwayNetPath_13:IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascadeP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signalingendothelinpathway: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
Assembly of collagen fibrils and other multimeric structuresR-HSA-1442490:Collagen degradation
Basigin interactions
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
WikiPathways Endochondral Ossification
Activation of Matrix Metalloproteinases
Oncostatin M Signaling Pathway
AGE/RAGE pathway
Matrix MetalloproteinasesWP366:TGF beta Signaling Pathway
Bladder Cancer
Degradation of collagen
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Prostate Cancer
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Cell surface interactions at the vascular wall
Matrix Metalloproteinases
References
Ref 525485Bioorg Med Chem Lett. 1999 Apr 5;9(7):943-8.Discovery of a novel series of selective MMP inhibitors: identification of the gamma-sulfone-thiols.
Ref 525485Bioorg Med Chem Lett. 1999 Apr 5;9(7):943-8.Discovery of a novel series of selective MMP inhibitors: identification of the gamma-sulfone-thiols.

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