Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000896
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article7 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-methylprop-2-enamide
FormulaC17H14BrN5O
Mass384.23
Exact Mass383.0381727
Composition C (53.14%), H (3.67%), Br (20.8%), N (18.23%), O (4.16%)
Atom Count38
PI9.85
Smilesn1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)N(C(=O)C=C)C
InChI1S/C17H14BrN5O/c1-3-16(24)23(2)15-8-13-14(9-19-15)20-10-21-17(13)22-12-6-4-5-11(18)7-12/h3-10H,1H2,2
H3,(H,20,21,22)
InChIKeyRCWLMTHCAVCUFY-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
Reference11462982
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 5329070
Drug Bank Link -
ChemSpider Link 4486232
ChEMBL Link CHEMBL334697
 
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