Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004227
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3z compound
IUPAC Name4-N-(3-bromophenyl)-7-N-[2-(1H-imidazol-4-yl)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC18H16BrN7
Mass410.271
Exact Mass409.0650562
Composition C (52.7%), H (3.93%), Br (19.48%), N (23.9%)
Atom Count42
PI10.5
Smilesn1cnc(c2c1cc(nc2)NCCc1c[nH]cn1)Nc1cc(ccc1)Br
InChI1S/C18H16BrN7/c19-12-2-1-3-13(6-12)26-18-15-9-22-17(7-16(15)24-11-25-18)21-5-4-14-8-20-10-23-14/h1-3
,6-11H,4-5H2,(H,20,23)(H,21,22)(H,24,25,26)
InChIKeyPFJRPGGNJFXXDJ-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
Reference9397172
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 4485485
ChEMBL Link CHEMBL338114
 
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