Drug Information

Drug General Information
Drug ID
DXE5TY
Drug Name
(R)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(2-(hydroxymethyl)pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
Synonyms
CHEMBL231879
Indication Discovery agent Investigative [1587926]
Formula
C22H31N3O8S2
Canonical SMILES
CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)N3CCC[C@@H]3CO)C(=O)NO
InChI
InChI=1S/C22H31N3O8S2/c1-2-3-15-33-19-6-8-20(9-7-19)34(29,30)17-22(21(27)23-28)10-13-24(14-11-22)35(31,32)25-12-4-5-18(25)16-26/h6-9,18,26,28H,4-5,10-17H2,1H3,(H,23,27)/t18-/m1/s1
InChIKey
LOOGWNWWNBNMRC-GOSISDBHSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Collagenase 3 Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancer
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Angiopoietin receptor Tie2-mediated signaling
Direct p53 effectors
amb2 Integrin signaling
ATF-2 transcription factor network
FOXM1 transcription factor network
Regulation of nuclear beta catenin signaling and target gene transcription
Syndecan-2-mediated signaling eventsupa_upar_pathway:Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP474:Endochondral Ossification
Oncostatin M Signaling Pathway
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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