Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003669
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5n compound
IUPAC Name4-N-(3-bromophenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
FormulaC19H21BrN6O
Mass429.314
Exact Mass428.096022
Composition C (53.16%), H (4.93%), Br (18.61%), N (19.58%), O (3.73%)
Atom Count48
PI10.79
Smilesc1(c2c(ncn1)cnc(c2)NCCN1CCOCC1)Nc1cc(Br)ccc1
InChI1S/C19H21BrN6O/c20-14-2-1-3-15(10-14)25-19-16-11-18(22-12-17(16)23-13-24-19)21-4-5-26-6-8-27-9-7-26/
h1-3,10-13H,4-9H2,(H,21,22)(H,23,24,25)
InChIKeyBGPOQKXCTILWFE-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
Reference9513602
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | FGFR | IR | PDGFR | IR | c-Src | PDGFR | FGFR | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485525
ChEMBL Link CHEMBL162622
 
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