Drug General Information
Drug ID	D01OCR
Former ID	DNC004637
Drug Name	3-(4-Methoxy-benzenesulfonyl)-pentane-1-thiol
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[525485]
Structure		Download 2D MOL 3D MOL
Formula	C12H18O3S2
Canonical SMILES	CCC(CCS)S(=O)(=O)C1=CC=C(C=C1)OC
InChI	1S/C12H18O3S2/c1-3-11(8-9-16)17(13,14)12-6-4-10(15-2)5-7-12/h4-7,11,16H,3,8-9H2,1-2H3
InChIKey	PKYBEORBMGUOOP-UHFFFAOYSA-N
PubChem Compound ID	19366856
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 525485	Bioorg 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 525485	Bioorg 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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