Drug Information

Drug General Information
Drug ID
DXM7I4
Drug Name
(S)-2-(4'-(4-(3-hydroxypropyl)-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid
Synonyms
CHEMBL552213
Indication Discovery agent Investigative [1587926]
Formula
C30H32N2O7S
Canonical SMILES
CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(NC(=O)c3oc4cccc(CCCO)c4c3C)cc2)C(=O)O
InChI
InChI=1S/C30H32N2O7S/c1-18(2)27(30(35)36)32-40(37,38)24-15-11-21(12-16-24)20-9-13-23(14-10-20)31-29(34)28-19(3)26-22(7-5-17-33)6-4-8-25(26)39-28/h4,6,8-16,18,27,32-33H,5,7,17H2,1-3H3,(H,31,34)(H,35,36)/t27-/m0/s1
InChIKey
QXMXXJUEHWZLCA-MHZLTWQESA-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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