Drug Information

Drug General Information
Drug ID
DX2AIL
Drug Name
(2R,3S)-4-Acetyl-1-[4-(3,5-difluoro-benzyloxy)-benzenesulfonyl]-3-methyl-piperazine-2-carboxylic acid hydroxyamide
Synonyms
CHEMBL111862
Indication Discovery agent Investigative [1587926]
Formula
C21H23F2N3O6S
Canonical SMILES
C[C@H]1[C@@H](N(CCN1C(=O)C)S(=O)(=O)c2ccc(OCc3cc(F)cc(F)c3)cc2)C(=O)NO
InChI
InChI=1S/C21H23F2N3O6S/c1-13-20(21(28)24-29)26(8-7-25(13)14(2)27)33(30,31)19-5-3-18(4-6-19)32-12-15-9-16(22)11-17(23)10-15/h3-6,9-11,13,20,29H,7-8,12H2,1-2H3,(H,24,28)/t13-,20+/m0/s1
InChIKey
RCOBSDNFRJAUBV-RNODOKPDSA-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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