Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002676
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article7h compound
IUPAC Name4-N-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC14H10F3N5
Mass305.2579
Exact Mass305.08883
Composition C (55.08%), H (3.3%), F (18.67%), N (22.94%)
Atom Count32
PI9.53
Smilesc1(c2c(cc(nc2)N)ncn1)Nc1c(C(F)(F)F)cccc1
InChI1S/C14H10F3N5/c15-14(16,17)9-3-1-2-4-10(9)22-13-8-6-19-12(18)5-11(8)20-7-21-13/h1-7H,(H2,18,19)(H,20
,21,22)
InChIKeyUTTGFVAYAIXJEI-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
Reference7562908
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 5328057
Drug Bank Link -
ChemSpider Link 4485224
ChEMBL Link CHEMBL332879
 
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