Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004231
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3dd compound
IUPAC Name2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}(methyl)amino)acetic acid
FormulaC16H14BrN5O2
Mass388.219
Exact Mass387.0330874
Composition C (49.5%), H (3.63%), Br (20.58%), N (18.04%), O (8.24%)
Atom Count38
PI4.57
Smilesn1cnc(c2c1cc(nc2)N(CC(=O)O)C)Nc1cc(ccc1)Br
InChI1S/C16H14BrN5O2/c1-22(8-15(23)24)14-6-13-12(7-18-14)16(20-9-19-13)21-11-4-2-3-10(17)5-11/h2-7,9H,8H2
,1H3,(H,23,24)(H,19,20,21)
InChIKeyGYZRHMIPWQOSOA-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 4485489
ChEMBL Link CHEMBL126903
 
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