Drug Information

Drug General Information
Drug ID
DXJR4G
Drug Name
2-[4-(4-Bromo-benzoylamino)-benzenesulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid
Synonyms
CHEMBL10296
Indication Discovery agent Investigative [1587926]
Formula
C23H24BrN3O6S
Canonical SMILES
OC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2
InChI
InChI=1S/C23H24BrN3O6S/c24-18-6-4-17(5-7-18)22(28)25-19-8-10-20(11-9-19)34(31,32)26-21(23(29)30)3-1-2-12-27-13-15-33-16-14-27/h4-11,21,26H,3,12-16H2,(H,25,28)(H,29,30)
InChIKey
AWDSUFIHUSMPAR-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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