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CHEBI:65138 - E-3810

ChEBI IDCHEBI:65138
ChEBI NameE-3810
Stars
DefinitionA hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor
Last Modified11 July 2012
SubmitterBijay
DownloadsMolfile
FormulaC26H25N3O4.HCl
Net Charge0
Average Mass479.964
Monoisotopic Mass479.16118
SMILESCNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12.Cl
InChIInChI=1S/C26H25N3O4.ClH/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26;/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30);1H
InChIKeyQHPVWTJTATVJBR-UHFFFAOYSA-N
Roles Classification
Biological Roles:
fibroblast growth factor receptor antagonist  An antagonist at the fibroblast growth factor receptor.
vascular endothelial growth factor receptor antagonist  An antagonist at the vascular endothelial growth factor receptor.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
E-3810 (CHEBI:65138) has part E-3810(1+) (CHEBI:65208)
E-3810 (CHEBI:65138) has role antineoplastic agent (CHEBI:35610)
E-3810 (CHEBI:65138) has role fibroblast growth factor receptor antagonist (CHEBI:63457)
E-3810 (CHEBI:65138) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207)
E-3810 (CHEBI:65138) is a hydrochloride (CHEBI:36807)
IUPAC Names 
6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide hydrochloride
1-{[(6-methoxy-4-{[5-(methylcarbamoyl)-2-naphthyl]oxy}quinolin-7-yl)oxy]methyl}cyclopropanaminium chloride
Registry NumbersSources
Reaxys:22181391Reaxys
Citations