Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003745
Inhibitor ClassIndolinone
Molecule Name in Refrence Article63 compound
IUPAC Name(3Z)-3-[(4-chloro-1-methyl-1H-pyrazol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one
FormulaC13H10ClN3O
Mass259.691
Exact Mass259.0512397
Composition C (60.12%), H (3.88%), Cl (13.65%), N (16.18%), O (6.16%)
Atom Count28
PI6.22
SmilesC1(=C/c2nn(cc2Cl)C)/C(=O)Nc2c1cccc2
InChI1S/C13H10ClN3O/c1-17-7-10(14)12(16-17)6-9-8-4-2-3-5-11(8)15-13(9)18/h2-7H,1H3,(H,15,18)/b9-6-
InChIKeyCWXPHBALXZAFCS-TWGQIWQCSA-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
Reference9651163
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesFLK-1 | IGF1R | PDGFR | ALL
Pub Chem Link 49823628
Drug Bank Link -
ChemSpider Link 23176520
ChEMBL Link CHEMBL89646
 
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