Drug Information

Drug General Information
Drug ID
DXS4JH
Drug Name
(S)-2-{4'-[(4-Benzyloxy-5-ethyl-3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid
Synonyms
CHEMBL370631
Indication Discovery agent Investigative [1587926]
Formula
C36H36N2O7S
Canonical SMILES
CCc1ccc2oc(C(=O)Nc3ccc(cc3)c4ccc(cc4)S(=O)(=O)N[C@@H](C(C)C)C(=O)O)c(C)c2c1OCc5ccccc5
InChI
InChI=1S/C36H36N2O7S/c1-5-25-15-20-30-31(34(25)44-21-24-9-7-6-8-10-24)23(4)33(45-30)35(39)37-28-16-11-26(12-17-28)27-13-18-29(19-14-27)46(42,43)38-32(22(2)3)36(40)41/h6-20,22,32,38H,5,21H2,1-4H3,(H,37,39)(H,40,41)/t32-/m0/s1
InChIKey
RPOIZUWTBLHTNU-YTTGMZPUSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Collagenase 3 Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancer
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
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 eventsupa_upar_pathway: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
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP474:Endochondral Ossification
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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