Drug Information

Drug General Information
Drug ID
DXS2HD
Drug Name
(R)-N*1*-[(S)-1-(benzhydryl-carbamoyl)-2,2-dimethyl-propyl]-2-[3-(2-fluoro-biphenyl-4-yl)-propyl]-N*4*-hydroxy-succinamide
Synonyms
CHEMBL443818
Indication Discovery agent Investigative [1587926]
Formula
C38H42FN3O4
Canonical SMILES
CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccc(c(F)c1)c2ccccc2)CC(=O)NO)C(=O)NC(c3ccccc3)c4ccccc4
InChI
InChI=1S/C38H42FN3O4/c1-38(2,3)35(37(45)40-34(28-17-9-5-10-18-28)29-19-11-6-12-20-29)41-36(44)30(25-33(43)42-46)21-13-14-26-22-23-31(32(39)24-26)27-15-7-4-8-16-27/h4-12,15-20,22-24,30,34-35,46H,13-14,21,25H2,1-3H3,(H,40,45)(H,41,44)(H,42,43)/t30-,35-/m1/s1
InChIKey
ZWHGWUJFPYMQHK-QTQRRKOQSA-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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