Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000044
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article33 compound
IUPAC Name4-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-(propan-2-yl)piperidine-4-carboxamide
FormulaC26H32ClFN6O2
Mass515.023
Exact Mass514.2259302
Composition C (60.63%), H (6.26%), Cl (6.88%), F (3.69%), N (16.32%), O (6.21%)
Atom Count68
PI11.31
SmilesC1(CCN(CC1)C(C)C)(N(Cc1c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)C)C(=O)N
InChI1S/C26H32ClFN6O2/c1-16(2)34-10-8-26(9-11-34,25(29)35)33(3)14-17-12-18-21(13-22(17)36-4)30-15-31-24(1
8)32-20-7-5-6-19(27)23(20)28/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H2,29,35)(H,30,31,32)
InChIKeyDFMFCXGQTUDQBA-UHFFFAOYSA-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
Reference16516473
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23270282
ChEMBL Link CHEMBL383246
 
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