Drug General Information
Drug ID
DX9E2F
Drug Name
(S)-2-(4'-(4-ethynyl-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid
Synonyms
CHEMBL565103
Indication Discovery agent Investigative [1587926]
Formula
C29H26N2O6S
Canonical SMILES
CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(NC(=O)c3oc4cccc(C#C)c4c3C)cc2)C(=O)O
InChI
InChI=1S/C29H26N2O6S/c1-5-19-7-6-8-24-25(19)18(4)27(37-24)28(32)30-22-13-9-20(10-14-22)21-11-15-23(16-12-21)38(35,36)31-26(17(2)3)29(33)34/h1,6-17,26,31H,2-4H3,(H,30,32)(H,33,34)/t26-/m0/s1
InChIKey
JWILGVWCZHAXFQ-SANMLTNESA-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.