Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000703
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article11h compound
IUPAC Name(4R,4aS)-N-(3-bromophenyl)-6-methoxy-4H,4aH-pyrido[3,2-d]pyrimidin-4-amine
FormulaC14H13BrN4O
Mass333.183
Exact Mass332.0272737
Composition C (50.47%), H (3.93%), Br (23.98%), N (16.82%), O (4.8%)
Atom Count33
PI13.06
Smiles[C@H]12C(=NC=N[C@H]2Nc2cccc(c2)Br)C=CC(=N1)OC
InChI1S/C14H13BrN4O/c1-20-12-6-5-11-13(19-12)14(17-8-16-11)18-10-4-2-3-9(15)7-10/h2-8,13-14,18H,1H3/t13-,
14+/m1/s1
InChIKeyJLCIOLQPKNNXOW-KGLIPLIRSA-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 CHEMBL50519
 
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