Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004209
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3h compound
IUPAC Name2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)propane-1,3-diol
FormulaC16H16BrN5O2
Mass390.235
Exact Mass389.0487374
Composition C (49.24%), H (4.13%), Br (20.48%), N (17.95%), O (8.2%)
Atom Count40
PI9.79
Smilesn1cnc(c2c1cc(nc2)NC(CO)CO)Nc1cc(ccc1)Br
InChI1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-6-18-15(21-12(7-23)8-24)5-14(13)19-9-20-16/h1-6,9,12,2
3-24H,7-8H2,(H,18,21)(H,19,20,22)
InChIKeyANVYMDPUMZNGLO-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 4485467
ChEMBL Link CHEMBL125568
 
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