Drug Information

Drug General Information
Drug ID
DX4HOP
Drug Name
1-Acetyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-7-(4-methyl-piperazin-1-yl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide
Synonyms
CHEMBL183735
Indication Discovery agent Investigative [1587926]
Formula
C27H33N5O6S
Canonical SMILES
CC#CCOc1ccc(cc1)S(=O)(=O)N2Cc3cc(ccc3N(CC2C(=O)NO)C(=O)C)N4CCN(C)CC4
InChI
InChI=1S/C27H33N5O6S/c1-4-5-16-38-23-7-9-24(10-8-23)39(36,37)32-18-21-17-22(30-14-12-29(3)13-15-30)6-11-25(21)31(20(2)33)19-26(32)27(34)28-35/h6-11,17,26,35H,12-16,18-19H2,1-3H3,(H,28,34)
InChIKey
BWBHMVGDPUEYMT-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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