Drug Information

Drug General Information
Drug ID
DX0W9I
Drug Name
3-(5-(benzyloxy)-1H-indol-3-yl)-2-(4-(but-2-ynyloxy)phenylsulfonamido)propanoic acid
Synonyms
CHEMBL463395
Indication Discovery agent Investigative [1587926]
Formula
C28H26N2O6S
Canonical SMILES
CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)O
InChI
InChI=1S/C28H26N2O6S/c1-2-3-15-35-22-9-12-24(13-10-22)37(33,34)30-27(28(31)32)16-21-18-29-26-14-11-23(17-25(21)26)36-19-20-7-5-4-6-8-20/h4-14,17-18,27,29-30H,15-16,19H2,1H3,(H,31,32)
InChIKey
OPSGGAROSGLASJ-UHFFFAOYSA-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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