Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000684
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article7e compound
IUPAC Name(4R,4aS)-N-(3-bromophenyl)-6-fluoro-4H,4aH-pyrido[3,4-d]pyrimidin-4-amine
FormulaC13H10BrFN4
Mass321.148
Exact Mass320.0072872
Composition C (48.62%), H (3.14%), Br (24.88%), F (5.92%), N (17.45%)
Atom Count29
PI7.88
Smiles[C@H]12C(=NC=N[C@H]2Nc2cc(ccc2)Br)C=NC(=C1)F
InChI1S/C13H10BrFN4/c14-8-2-1-3-9(4-8)19-13-10-5-12(15)16-6-11(10)17-7-18-13/h1-7,10,13,19H/t10-,13+/m1/s
1
InChIKeyRHRAMDGTAAXBDX-MFKMUULPSA-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
Reference8627606
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 -
ChEMBL Link CHEMBL53121
 
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