Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000698
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article11b compound
IUPAC Name(4R,4aS)-4-N-(3-bromophenyl)-4H,4aH-pyrido[3,2-d]pyrimidine-4,6-diamine
FormulaC13H12BrN5
Mass318.172
Exact Mass317.0276081
Composition C (49.07%), H (3.8%), Br (25.11%), N (22.01%)
Atom Count31
PI13.07
Smiles[C@H]12C(=NC=N[C@H]2Nc2cccc(c2)Br)C=CC(=N1)N
InChI1S/C13H12BrN5/c14-8-2-1-3-9(6-8)18-13-12-10(16-7-17-13)4-5-11(15)19-12/h1-7,12-13,18H,(H2,15,19)/t12
-,13+/m1/s1
InChIKeyZHHOABXFTLJAID-OLZOCXBDSA-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 CHEMBL300217
 
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