Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003657
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5b compound
IUPAC Name4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
FormulaC14H12BrN5
Mass330.183
Exact Mass329.0276081
Composition C (50.93%), H (3.66%), Br (24.2%), N (21.21%)
Atom Count32
PI10.06
Smilesc1(c2c(ncn1)cnc(c2)NC)Nc1cc(Br)ccc1
InChI1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,
19,20)
InChIKeyKFHMLBXBRCITHF-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 | 10639288 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 4707
Drug Bank Link -
ChemSpider Link 4545
ChEMBL Link CHEMBL53753
 
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