Drug General Information
Drug ID
DX1UC6
Drug Name
4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-4-hydroxycarbamoyl-butyryl}-piperazine-1-carboxylic acid ethyl ester
Synonyms
CHEMBL80486
Indication Discovery agent Investigative [1587926]
Formula
C27H34N4O10S
Canonical SMILES
CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc2ccc3OCOc3c2)S(=O)(=O)c4ccc(OC)cc4)C(=O)NO
InChI
InChI=1S/C27H34N4O10S/c1-3-39-27(34)30-14-12-29(13-15-30)25(32)11-9-22(26(33)28-35)31(17-19-4-10-23-24(16-19)41-18-40-23)42(36,37)21-7-5-20(38-2)6-8-21/h4-8,10,16,22,35H,3,9,11-15,17-18H2,1-2H3,(H,28,33)/t22-/m1/s1
InChIKey
XHLWYEWXYHRDQW-JOCHJYFZSA-N
Target and Pathway
Target(s) Interstitial collagenase Target Info [1587926]
Neutrophil collagenase Target Info [1587926]
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 cascadeP00004:Alzheimer disease-presenilin pathway
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)R-HSA-1442490:Collagen degradation
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 Metalloproteinases
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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