Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003664
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5i compound
IUPAC Name4-N-(3-bromophenyl)-6-N-[3-(dimethylamino)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
FormulaC18H21BrN6
Mass401.304
Exact Mass400.1011073
Composition C (53.87%), H (5.27%), Br (19.91%), N (20.94%)
Atom Count46
PI12.22
Smilesc1(c2c(ncn1)cnc(c2)NCCCN(C)C)Nc1cc(Br)ccc1
InChI1S/C18H21BrN6/c1-25(2)8-4-7-20-17-10-15-16(11-21-17)22-12-23-18(15)24-14-6-3-5-13(19)9-14/h3,5-6,9-1
2H,4,7-8H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyWBGYUVVZVWPMCL-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
Reference9513602
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 4485520
ChEMBL Link CHEMBL166358
 
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