Drug Information

Drug General Information
Drug ID
DXF5VS
Drug Name
(R)-N*1*-((S)-2,2-dimethyl-1-methylcarbamoyl-propyl)-N*4*-hydroxy-2-[3-(2-trifluoromethyl-biphenyl-4-yl)-propyl]-succinamide
Synonyms
CHEMBL356413
Indication Discovery agent Investigative [1587926]
Formula
C27H34F3N3O4
Canonical SMILES
CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C
InChI
InChI=1S/C27H34F3N3O4/c1-26(2,3)23(25(36)31-4)32-24(35)19(16-22(34)33-37)12-8-9-17-13-14-20(18-10-6-5-7-11-18)21(15-17)27(28,29)30/h5-7,10-11,13-15,19,23,37H,8-9,12,16H2,1-4H3,(H,31,36)(H,32,35)(H,33,34)/t19-,23-/m1/s1
InChIKey
BQKZRXTUCVWMIN-AUSIDOKSSA-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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