Drug Information

Drug General Information
Drug ID
DXV6SF
Drug Name
1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,5,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-naphthacen-4-trimethylammonium iodide
Synonyms
CHEMBL242074
Indication Discovery agent Investigative [1587926]
Formula
C23H27IN2O8
Canonical SMILES
[I-].C[C@@H]1C2[C@@H](O)C3[C@@H](C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O)[N+](C)(C)C
InChI
InChI=1S/C23H26N2O8.HI/c1-8-9-6-5-7-10(26)12(9)17(27)13-11(8)18(28)15-16(25(2,3)4)19(29)14(22(24)32)21(31)23(15,33)20(13)30;/h5-8,11,15-16,18,28,33H,1-4H3,(H4-,24,26,27,29,30,31,32);1H/t8-,11?,15?,16-,18+,23-;/m0./s1
InChIKey
PAWMGXIJYPYCIU-WQMPYENHSA-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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