Drug Information

Drug General Information
Drug ID
D03FEI
Former ID
DNC004632
Drug Name
1-(4-Methoxy-benzenesulfonyl)-heptane-3-thiol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525485]
Structure
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2D MOL

3D MOL
Formula
C14H22O3S2
Canonical SMILES
CCCCC(CCS(=O)(=O)C1=CC=C(C=C1)OC)S
InChI
1S/C14H22O3S2/c1-3-4-5-13(18)10-11-19(15,16)14-8-6-12(17-2)7-9-14/h6-9,13,18H,3-5,10-11H2,1-2H3
InChIKey
XJUQEFFNMKAWSV-UHFFFAOYSA-N
PubChem Compound ID
15516781
Target and Pathway
Target(s) Collagenase 3 Target Info Inhibitor [525485]
NetPath Pathway IL1 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structures
WikiPathways Endochondral Ossification
Activation of Matrix Metalloproteinases
Oncostatin M Signaling Pathway
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.

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