Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000911
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article22 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-[3-(morpholin-4-yl)propyl]prop-2-enamide
FormulaC23H25BrN6O2
Mass497.388
Exact Mass496.1222367
Composition C (55.54%), H (5.07%), Br (16.06%), N (16.9%), O (6.43%)
Atom Count57
PI10.81
Smilesn1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)N(C(=O)C=C)CCCN1CCOCC1
InChI1S/C23H25BrN6O2/c1-2-22(31)30(8-4-7-29-9-11-32-12-10-29)21-14-19-20(15-25-21)26-16-27-23(19)28-18-6-
3-5-17(24)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,26,27,28)
InChIKeyOCBRGIXVRJXGMM-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
Reference11462982
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 5329083
Drug Bank Link -
ChemSpider Link 4486245
ChEMBL Link CHEMBL137082
 
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