Drug Information

Drug General Information
Drug ID
DX1JHJ
Drug Name
[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-[(S)-4-(4-methoxy-phenyl)-2-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-butyl]-phosphinic acid
Synonyms
CHEMBL109438
Indication Discovery agent Investigative [1587926]
Formula
C36H44N3O7P
Canonical SMILES
COc1ccc(CC[C@H](CP(=O)(O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc4ccccc4)cc1
InChI
InChI=1S/C36H44N3O7P/c1-25(2)23-32(34(41)37-28-11-5-4-6-12-28)38-33(40)27(18-15-26-16-19-29(46-3)20-17-26)24-47(44,45)22-10-9-21-39-35(42)30-13-7-8-14-31(30)36(39)43/h4-8,11-14,16-17,19-20,25,27,32H,9-10,15,18,21-24H2,1-3H3,(H,37,41)(H,38,40)(H,44,45)/t27-,32+/m1/s1
InChIKey
HXMCVMJQARWQIU-ZUKKLESISA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Stromelysin-1 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
Transcriptional misregulation in cancer
Rheumatoid arthritis
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL4 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00050: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 eventsajdiss_2pathway:Posttranslational regulation of adherens junction stability and dissassembly
p75(NTR)-mediated signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
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
EGFR Transactivation by Gastrin
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Gastrin-CREB signalling pathway via PKC and MAPK
Oncostatin M Signaling Pathway
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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