Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002510
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6c compound
IUPAC Name(2E)-3-{3-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]phenyl}-N-hydroxyprop-2-enamide
FormulaC30H22ClFN4O3
Mass540.972
Exact Mass540.1364465
Composition C (66.61%), H (4.1%), Cl (6.55%), F (3.51%), N (10.36%), O (8.87%)
Atom Count61
PI6.74
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1cccc(c1)/C=C/C(=O)NO
InChI1S/C30H22ClFN4O3/c31-26-16-24(9-11-28(26)39-17-20-4-2-6-23(32)14-20)35-30-25-15-22(8-10-27(25)33-18-
34-30)21-5-1-3-19(13-21)7-12-29(37)36-38/h1-16,18,38H,17H2,(H,36,37)(H,33,34,35)/b12-7+
InChIKeyHRIQVCCRXNQUAH-KPKJPENVSA-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
Reference21080629
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPKA | PDGFR beta | InsR | Abl1 | PlK1 | CDK2 | ALL
Pub Chem Link 42596953
Drug Bank Link -
ChemSpider Link 26376659
ChEMBL Link CHEMBL1630109
 
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