Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000680
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article6a compound
IUPAC Name(4R,4aS)-N-benzyl-4H,4aH-pyrido[3,4-d]pyrimidin-4-amine
FormulaC14H14N4
Mass238.2878
Exact Mass238.1218465
Composition C (70.57%), H (5.92%), N (23.51%)
Atom Count32
PI11.09
Smiles[C@H]12C(=NC=N[C@H]2NCc2ccccc2)C=NC=C1
InChI1S/C14H14N4/c1-2-4-11(5-3-1)8-16-14-12-6-7-15-9-13(12)17-10-18-14/h1-7,9-10,12,14,16H,8H2/t12-,14-/m
1/s1
InChIKeyXXVINFBCTSNAIV-TZMCWYRMSA-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 CHEMBL51320
 
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