Drug Information

Drug General Information
Drug ID
DX1E3Z
Drug Name
(2S,4R)-6-(4-Benzyloxy-phenyl)-2-butyl-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-hexanoic acid
Synonyms
CHEMBL8580
Indication Discovery agent Investigative [1587926]
Formula
C31H44N2O5
Canonical SMILES
CCCC[C@@H](C[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O
InChI
InChI=1S/C31H44N2O5/c1-6-7-13-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)17-14-22-15-18-26(19-16-22)38-21-23-11-9-8-10-12-23/h8-12,15-16,18-19,24-25,27H,6-7,13-14,17,20-21H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1
InChIKey
JJIIYULDEGYNEW-CMTIAEDTSA-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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