Drug General Information
Drug ID
DX8JJZ
Drug Name
(3S,6S)-4-(4-(but-2-ynyloxy)phenylsulfonyl)-6-(2-(diethylamino)ethyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
Synonyms
CHEMBL205998
Indication Discovery agent Investigative [1587926]
Formula
C23H35N3O5S2
Canonical SMILES
CCN(CC)CC[C@H]1CN([C@@H](C(=O)NO)C(C)(C)S1)S(=O)(=O)c2ccc(OCC#CC)cc2
InChI
InChI=1S/C23H35N3O5S2/c1-6-9-16-31-18-10-12-20(13-11-18)33(29,30)26-17-19(14-15-25(7-2)8-3)32-23(4,5)21(26)22(27)24-28/h10-13,19,21,28H,7-8,14-17H2,1-5H3,(H,24,27)/t19-,21-/m0/s1
InChIKey
BUSXTPHZLBAFDD-FPOVZHCZSA-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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