Drug Information

Drug General Information
Drug ID
D0D7UA
Former ID
DNC004449
Drug Name
3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525485]
Structure
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2D MOL

3D MOL
Formula
C15H16O3S2
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CCCS
InChI
1S/C15H16O3S2/c16-20(17,12-4-11-19)15-9-7-14(8-10-15)18-13-5-2-1-3-6-13/h1-3,5-10,19H,4,11-12H2
InChIKey
CTVWOVYWOFCAMW-UHFFFAOYSA-N
PubChem Compound ID
10267279
Target and Pathway
Target(s) Interstitial collagenase Target Info Inhibitor [525485]
Neutrophil collagenase Target Info Inhibitor [525535]
Collagenase 3 Target Info Inhibitor [525485]
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 PathwayNetPath_13:IL1 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascadeP00004:Alzheimer disease-presenilin pathwayP00004: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 eventsupa_upar_pathway:Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
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)R-HSA-1442490:Collagen degradation
Activation of Matrix MetalloproteinasesR-HSA-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
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 MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Matrix MetalloproteinasesWP474:Endochondral Ossification
AGE/RAGE pathway
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.
Ref 525535Bioorg Med Chem Lett. 1999 Jul 5;9(13):1757-60.Synthesis and identification of conformationally constrained selective MMP inhibitors.

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