Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001380
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article5e compound
IUPAC Nameethyl 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
FormulaC25H24N6O2
Mass440.4971
Exact Mass440.196074
Composition C (68.17%), H (5.49%), N (19.08%), O (7.26%)
Atom Count57
PI8.01
Smilesc1(ccccc1)Cn1c2ccc(Nc3ncnn4c3c(c(c4)C(=O)OCC)CC)cc2cn1
InChI1S/C25H24N6O2/c1-3-20-21(25(32)33-4-2)15-31-23(20)24(26-16-28-31)29-19-10-11-22-18(12-19)13-27-30(22
)14-17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28,29)
InChIKeyDLQGOUYSCARQKO-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
Reference16111887
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 23589545
Drug Bank Link -
ChemSpider Link 19705446
ChEMBL Link CHEMBL196925
 
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