Drug Information

Drug General Information
Drug ID
DX8A9N
Drug Name
D-3-(1-(4-(allyloxy)benzyl)-1H-indol-3-yl)-2-(4-(but-2-ynyloxy)phenylsulfonamido)propanoic acid
Synonyms
CHEMBL526567
Indication Discovery agent Investigative [1587926]
Formula
C31H30N2O6S
Canonical SMILES
CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2cn(Cc3ccc(OCC=C)cc3)c4ccccc24)C(=O)O
InChI
InChI=1S/C31H30N2O6S/c1-3-5-19-39-26-14-16-27(17-15-26)40(36,37)32-29(31(34)35)20-24-22-33(30-9-7-6-8-28(24)30)21-23-10-12-25(13-11-23)38-18-4-2/h4,6-17,22,29,32H,2,18-21H2,1H3,(H,34,35)/t29-/m1/s1
InChIKey
WJTLWRHMCRMRAJ-GDLZYMKVSA-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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