Drug Information

Drug General Information
Drug ID
DXB4LJ
Drug Name
(2R,3S)-N*4*-[(S)-1-(Benzhydryl-carbamoyl)-2,2-dimethyl-propyl]-2,N*1*-dihydroxy-3-(3-phenyl-propyl)-succinamide
Synonyms
CHEMBL349124
Indication Discovery agent Investigative [1587926]
Formula
C32H39N3O5
Canonical SMILES
CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](O)C(=O)NO)C(=O)NC(c2ccccc2)c3ccccc3
InChI
InChI=1S/C32H39N3O5/c1-32(2,3)28(31(39)33-26(23-17-9-5-10-18-23)24-19-11-6-12-20-24)34-29(37)25(27(36)30(38)35-40)21-13-16-22-14-7-4-8-15-22/h4-12,14-15,17-20,25-28,36,40H,13,16,21H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)/t25-,27+,28-/m1/s1
InChIKey
NXKGLSOWQLOKML-FPNNDXFKSA-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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