Drug Information

Drug General Information
Drug ID
DXS4YR
Drug Name
5-(4-Phenoxyphenyl)-5-(4-(2,6-dichloro-5-fluoronicotinoyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Synonyms
CHEMBL1812954
Indication Discovery agent Investigative [1587926]
Formula
C27H22Cl2FN5O5
Canonical SMILES
Fc1cc(C(=O)N2CCCN(CC2)C3(C(=O)NC(=O)NC3=O)c4ccc(Oc5ccccc5)cc4)c(Cl)nc1Cl
InChI
InChI=1S/C27H22Cl2FN5O5/c28-21-19(15-20(30)22(29)31-21)23(36)34-11-4-12-35(14-13-34)27(24(37)32-26(39)33-25(27)38)16-7-9-18(10-8-16)40-17-5-2-1-3-6-17/h1-3,5-10,15H,4,11-14H2,(H2,32,33,37,38,39)
InChIKey
DMTJHOMQGPRBLZ-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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