Drug Information

Drug General Information
Drug ID
DX6S3O
Drug Name
(7S,8R,11S)-11-benzoyl-8-[3-(3,5-dibromo-phenyl)-propyl]-9-oxo-2-oxa-10-aza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-7-carboxylic acid hydroxyamide
Synonyms
CHEMBL98304
Indication Discovery agent Investigative [1587926]
Formula
C32H34Br2N2O5
Canonical SMILES
ONC(=O)[C@H]1CCCCOc2ccc(C[C@H](NC(=O)[C@@H]1CCCc3cc(Br)cc(Br)c3)C(=O)c4ccccc4)cc2
InChI
InChI=1S/C32H34Br2N2O5/c33-24-17-22(18-25(34)20-24)7-6-11-27-28(32(39)36-40)10-4-5-16-41-26-14-12-21(13-15-26)19-29(35-31(27)38)30(37)23-8-2-1-3-9-23/h1-3,8-9,12-15,17-18,20,27-29,40H,4-7,10-11,16,19H2,(H,35,38)(H,36,39)/t27-,28+,29+/m1/s1
InChIKey
IGKZHEJCICMYIH-ULNSLHSMSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Interstitial collagenase Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancerhsa03320:PPAR signaling pathway
Bladder cancer
Rheumatoid arthritis
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Angiopoietin receptor Tie2-mediated signaling
Direct p53 effectors
amb2 Integrin signaling
ATF-2 transcription factor network
FOXM1 transcription factor network
Regulation of nuclear beta catenin signaling and target gene transcription
Syndecan-2-mediated signaling eventsendothelinpathway:Endothelins
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
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
Basigin interactions
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP366:TGF beta Signaling Pathway
Bladder Cancer
Degradation of collagen
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Oncostatin M Signaling Pathway
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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