Drug Information

Drug General Information
Drug ID
DX8BXF
Drug Name
4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-trifluoromethoxy-phenylethynyl)-phenylsulfanyl]-butyric acid
Synonyms
CHEMBL377112
Indication Discovery agent Investigative [1587926]
Formula
C27H18F3NO5S
Canonical SMILES
OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Sc3ccc(cc3)C#Cc4ccc(OC(F)(F)F)cc4
InChI
InChI=1S/C27H18F3NO5S/c28-27(29,30)36-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)37-23(26(34)35)15-16-31-24(32)21-3-1-2-4-22(21)25(31)33/h1-4,7-14,23H,15-16H2,(H,34,35)
InChIKey
SKLSVPSTTVFNGB-UHFFFAOYSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
MMP-9 Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancerhsa04668:TNF signaling pathway
Hepatitis B
Transcriptional misregulation in cancer
MicroRNAs in cancer
Bladder cancer
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_5:ID Signaling Pathway
TWEAK Signaling Pathway
TNFalpha Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map ST
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 eventslysophospholipid_pathway:LPA receptor mediated events
Validated targets of C-MYC transcriptional activation
CXCR4-mediated signaling events
Syndecan-4-mediated signaling events
AP-1 transcription factor network
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Syndecan-1-mediated signaling events
FGF signaling pathway
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
Assembly of collagen fibrils and other multimeric structures
EPH-ephrin mediated repulsion of cells
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP474:Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Degradation of collagen
Spinal Cord Injury
TWEAK Signaling Pathway
Angiogenesis
Osteopontin Signaling
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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