Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004174
Inhibitor ClassIso-quinoline
Molecule Name in Refrence Article89d compound
IUPAC Name(4Z)-4-[({[4-(furan-3-yl)-3-hydroxyphenyl]methyl}amino)methylidene]-6-iodo-1,2,3,4-tetrahydroisoquinoline-1,3-dione
FormulaC21H15IN2O4
Mass486.2593
Exact Mass486.0076504
Composition C (51.87%), H (3.11%), I (26.1%), N (5.76%), O (13.16%)
Atom Count43
PI5.51
Smilesc1(ccc2c(c1)/C(=C/NCc1cc(c(cc1)c1ccoc1)O)/C(=O)NC2=O)I
InChI1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-
13/h1-8,10-11,23,25H,9H2,(H,24,26,27)/b18-10-
InChIKeyCUISPPCDYZFGCY-ZDLGFXPLSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference19317452
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesBraf | IGFR | IKK-2 | IR | LCK | p70S6 | Src | Tpl2 | KDR | AKT | STAT3 | PDK1 | mTOR | MK2 | CDK1 | PKC theta | CDK2 | CDK4 | LYN | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24710238
ChEMBL Link CHEMBL504547
 
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