Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003514
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence ArticleNP506
IUPAC Name3-(2,4-dimethyl-5-{[(3Z)-2-oxo-5-(N'-phenylhydrazinecarbonyl)-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
FormulaC25H24N4O4
Mass444.4825
Exact Mass444.1797553
Composition C (67.55%), H (5.44%), N (12.6%), O (14.4%)
Atom Count57
PI1
Smilesc1(ccc2c(c1)/C(=C/c1[nH]c(c(c1C)CCC(=O)O)C)/C(=O)N2)C(=O)NNc1ccccc1
InChI1S/C25H24N4O4/c1-14-18(9-11-23(30)31)15(2)26-22(14)13-20-19-12-16(8-10-21(19)27-25(20)33)24(32)29-28
-17-6-4-3-5-7-17/h3-8,10,12-13,26,28H,9,11H2,1-2H3,(H,27,33)(H,29,32)(H,30,31)/b20-13-
InChIKeyGCZQBFMPHLFNIO-MOSHPQCFSA-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
Reference19110422
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFGFR1 | PDGFR beta | VEGFR2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24698478
ChEMBL Link CHEMBL480356
 
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