Drug Information

Drug General Information
Drug ID
DX5NTI
Drug Name
(R)-3-(((S)-3-cyclohexyl-1-(4-morpholinobutylamino)-1-oxopropan-2-yl)carbamoyl)-6-p-tolylhexanoic acid
Synonyms
CHEMBL307027
Indication Discovery agent Investigative [1587926]
Formula
C31H49N3O5
Canonical SMILES
Cc1ccc(CCC[C@H](CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN3CCOCC3)cc1
InChI
InChI=1S/C31H49N3O5/c1-24-12-14-25(15-13-24)10-7-11-27(23-29(35)36)30(37)33-28(22-26-8-3-2-4-9-26)31(38)32-16-5-6-17-34-18-20-39-21-19-34/h12-15,26-28H,2-11,16-23H2,1H3,(H,32,38)(H,33,37)(H,35,36)/t27-,28+/m1/s1
InChIKey
RGTVFBJQARSWHO-IZLXSDGUSA-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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