Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000302
Inhibitor ClassAnilino-pyrido-pyrimidine
Molecule Name in Refrence Article28 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}prop-2-ynamide
FormulaC16H10BrN5O
Mass368.188
Exact Mass367.0068726
Composition C (52.19%), H (2.74%), Br (21.7%), N (19.02%), O (4.35%)
Atom Count33
PI7.99
Smilesc12c(cnc(c1)NC(=O)C#C)ncnc2Nc1cc(ccc1)Br
InChI1S/C16H10BrN5O/c1-2-15(23)22-14-7-12-13(8-18-14)19-9-20-16(12)21-11-5-3-4-10(17)6-11/h1,3-9H,(H,18,2
2,23)(H,19,20,21)
InChIKeyOMYOVWAUIIJSPG-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 -
Drug Bank Link -
ChemSpider Link 13231105
ChEMBL Link CHEMBL378144
 
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