Drug Information

Drug General Information
Drug ID
DX2DQV
Drug Name
(2S,3R)-3-Hydroxycarbamoyl-2-methyl-4-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-piperazine-1-carboxylic acid methyl ester
Synonyms
CHEMBL326221
Indication Discovery agent Investigative [1587926]
Formula
C22H27N3O7S
Canonical SMILES
COC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c2ccc(OCc3ccccc3C)cc2
InChI
InChI=1S/C22H27N3O7S/c1-15-6-4-5-7-17(15)14-32-18-8-10-19(11-9-18)33(29,30)25-13-12-24(22(27)31-3)16(2)20(25)21(26)23-28/h4-11,16,20,28H,12-14H2,1-3H3,(H,23,26)/t16-,20+/m0/s1
InChIKey
BVVZNDQVRQLIPW-OXJNMPFZSA-N
Target and Pathway
Target(s) Collagenase 3 Target Info [1587926]
Interstitial collagenase Target Info [1587926]
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 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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