Drug Information

Drug General Information
Drug ID
DXCG5R
Drug Name
(S)-2-{4'-[(1H-Indole-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid
Synonyms
CHEMBL189666
Indication Discovery agent Investigative [1587926]
Formula
C26H25N3O5S
Canonical SMILES
CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C(=O)O
InChI
InChI=1S/C26H25N3O5S/c1-16(2)24(26(31)32)29-35(33,34)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(30)23-15-19-5-3-4-6-22(19)28-23/h3-16,24,28-29H,1-2H3,(H,27,30)(H,31,32)/t24-/m0/s1
InChIKey
BUOFCYNMGVUTSM-DEOSSOPVSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Matrix metalloproteinase-14 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
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
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 eventshif2pathway:HIF-2-alpha transcription factor network
Signaling events mediated by focal adhesion kinase
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
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP615:Senescence and Autophagy in Cancer
Degradation of collagen
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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