Drug Information

Drug General Information
Drug ID
DX0NNR
Drug Name
tert-butyl 4-(4-(but-2-ynyloxy)phenylsulfonyl)-5-(hydroxycarbamoyl)-1,4-diazepane-1-carboxylate
Synonyms
CHEMBL359502
Indication Discovery agent Investigative [1587926]
Formula
C21H29N3O7S
Canonical SMILES
CC#CCOc1ccc(cc1)S(=O)(=O)N2CCN(CCC2C(=O)NO)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H29N3O7S/c1-5-6-15-30-16-7-9-17(10-8-16)32(28,29)24-14-13-23(20(26)31-21(2,3)4)12-11-18(24)19(25)22-27/h7-10,18,27H,11-15H2,1-4H3,(H,22,25)
InChIKey
JVVFIHLIADCISB-UHFFFAOYSA-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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