Drug Information

Drug General Information
Drug ID
DXBS6V
Drug Name
(S)-tert-butyl 4-(4-(3-(hydroxycarbamoyl)-2,2-dimethylthiomorpholinosulfonyl)phenoxy)but-2-ynylcarbamate
Synonyms
CHEMBL437499
Indication Discovery agent Investigative [1587926]
Formula
C22H31N3O7S2
Canonical SMILES
CC(C)(C)OC(=O)NCC#CCOc1ccc(cc1)S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO
InChI
InChI=1S/C22H31N3O7S2/c1-21(2,3)32-20(27)23-12-6-7-14-31-16-8-10-17(11-9-16)34(29,30)25-13-15-33-22(4,5)18(25)19(26)24-28/h8-11,18,28H,12-15H2,1-5H3,(H,23,27)(H,24,26)/t18-/m0/s1
InChIKey
GTOFARSZXYDPTC-SFHVURJKSA-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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