Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003666
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5k compound
IUPAC Name4-N-(3-bromophenyl)-6-N-[(2S)-3-(diethylamino)-2-hydroxypropyl]pyrido[3,4-d]pyrimidine-4,6-diamine
FormulaC20H25BrN6O
Mass445.356
Exact Mass444.1273221
Composition C (53.94%), H (5.66%), Br (17.94%), N (18.87%), O (3.59%)
Atom Count53
PI11.86
Smilesc1(c2c(ncn1)cnc(c2)NC[C@@H](CN(CC)CC)O)Nc1cc(Br)ccc1
InChI1S/C20H25BrN6O/c1-3-27(4-2)12-16(28)10-22-19-9-17-18(11-23-19)24-13-25-20(17)26-15-7-5-6-14(21)8-15/
h5-9,11,13,16,28H,3-4,10,12H2,1-2H3,(H,22,23)(H,24,25,26)/t16-/m0/s1
InChIKeyRNIMVALSZBLGMI-INIZCTEOSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesc-Src | FGFR | IR | PDGFR | PDGFR | FGFR | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485522 21201190 21201101
ChEMBL Link CHEMBL433520
 
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