Drug Information

Drug General Information
Drug ID
DX5C5D
Drug Name
[(S)-2-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-ethylcarbamoyl)-5-phenyl-pentyl]-phosphonic acid
Synonyms
CHEMBL74977
Indication Discovery agent Investigative [1587926]
Formula
C29H41N2O5P
Canonical SMILES
OP(=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc3ccccc3
InChI
InChI=1S/C29H41N2O5P/c32-28(26(22-37(34,35)36)18-10-17-23-11-4-1-5-12-23)31-27(21-25-15-8-3-9-16-25)29(33)30-20-19-24-13-6-2-7-14-24/h1-2,4-7,11-14,25-27H,3,8-10,15-22H2,(H,30,33)(H,31,32)(H2,34,35,36)/t26-,27+/m1/s1
InChIKey
OXBBHJALLZTSBF-SXOMAYOGSA-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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