Drug Information

Drug General Information
Drug ID
DXBU7S
Drug Name
5-(4-Phenoxyphenyl)-5-(4-(2-(2,3-dihydrobenzo[b]-[1,4]dioxine-6-sulfonamido)3-methylbutyryl)-1,4-diazepan-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione
Synonyms
CHEMBL1812959
Indication Discovery agent Investigative [1587926]
Formula
C34H37N5O9S
Canonical SMILES
CC(C)C(NS(=O)(=O)c1ccc2OCCOc2c1)C(=O)N3CCCN(CC3)C4(C(=O)NC(=O)NC4=O)c5ccc(Oc6ccccc6)cc5
InChI
InChI=1S/C34H37N5O9S/c1-22(2)29(37-49(44,45)26-13-14-27-28(21-26)47-20-19-46-27)30(40)38-15-6-16-39(18-17-38)34(31(41)35-33(43)36-32(34)42)23-9-11-25(12-10-23)48-24-7-4-3-5-8-24/h3-5,7-14,21-22,29,37H,6,15-20H2,1-2H3,(H2,35,36,41,42,43)
InChIKey
BSIHEYODNDRSAE-UHFFFAOYSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
MMP-9 Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancerhsa04668:TNF signaling pathway
Hepatitis B
Transcriptional misregulation in cancer
MicroRNAs in cancer
Bladder cancer
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_5:ID Signaling Pathway
TWEAK Signaling Pathway
TNFalpha Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map ST
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 eventslysophospholipid_pathway:LPA receptor mediated events
Validated targets of C-MYC transcriptional activation
CXCR4-mediated signaling events
Syndecan-4-mediated signaling events
AP-1 transcription factor network
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Syndecan-1-mediated signaling events
FGF signaling pathway
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
EPH-ephrin mediated repulsion of cells
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP474:Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Degradation of collagen
Spinal Cord Injury
TWEAK Signaling Pathway
Angiogenesis
Osteopontin Signaling
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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