Drug Information

Drug General Information
Drug ID
DX3MZW
Drug Name
cis-(2R,3R)-2-(3,5-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate
Synonyms
CHEMBL1923068
Indication Discovery agent Investigative [1587926]
Formula
C22H18O10
Canonical SMILES
Oc1cc(O)cc(c1)[C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c4cc(O)c(O)c(O)c4
InChI
InChI=1S/C22H18O10/c23-11-1-9(2-12(24)5-11)21-19(8-14-15(26)6-13(25)7-18(14)31-21)32-22(30)10-3-16(27)20(29)17(28)4-10/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
InChIKey
OZWUBBWOATVPDW-TZIWHRDSSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Matrix metalloproteinase-14 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
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
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 eventshif2pathway:HIF-2-alpha transcription factor network
Signaling events mediated by focal adhesion kinase
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
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP615:Senescence and Autophagy in Cancer
Degradation of collagen
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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