Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000304
Inhibitor ClassAnilino-pyrido-pyrimidine
Molecule Name in Refrence Article30 compound
IUPAC NameN-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}hex-2-ynamide
FormulaC19H15ClFN5O
Mass383.807
Exact Mass383.094916
Composition C (59.46%), H (3.94%), Cl (9.24%), F (4.95%), N (18.25%), O (4.17%)
Atom Count42
PI7.99
Smilesc12c(cnc(c1)NC(=O)C#CCCC)ncnc2Nc1cc(c(cc1)F)Cl
InChI1S/C19H15ClFN5O/c1-2-3-4-5-18(27)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-6-7-15(21)14(20)8-12/h6
-11H,2-3H2,1H3,(H,22,26,27)(H,23,24,25)
InChIKeyISEHGRGNSOYPTL-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
Reference16480284
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 11632391
Drug Bank Link -
ChemSpider Link 9807136
ChEMBL Link CHEMBL203645
 
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