Drug Information

Drug General Information
Drug ID
DXO2KJ
Drug Name
1-Acetyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-8-piperazin-1-ylmethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide
Synonyms
CHEMBL359969
Indication Discovery agent Investigative [1587926]
Formula
C27H33N5O6S
Canonical SMILES
CC#CCOc1ccc(cc1)S(=O)(=O)N2Cc3ccc(CN4CCNCC4)cc3N(CC2C(=O)NO)C(=O)C
InChI
InChI=1S/C27H33N5O6S/c1-3-4-15-38-23-7-9-24(10-8-23)39(36,37)32-18-22-6-5-21(17-30-13-11-28-12-14-30)16-25(22)31(20(2)33)19-26(32)27(34)29-35/h5-10,16,26,28,35H,11-15,17-19H2,1-2H3,(H,29,34)
InChIKey
AXHCVGDTGFVLIU-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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