Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004642
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article10c
IUPAC Name4-({4-amino-6-cyano-2-[(2-hydroxyethyl)amino]pyrido[2,3-d]pyrimidin-7-yl}amino)benzene-1-sulfonamide
FormulaC16H16N8O3S
Mass400.415
Exact Mass400.1066071
Composition C (47.99%), H (4.03%), N (27.98%), O (11.99%), S (8.01%)
Atom Count44
PI7.34
Smilesc1(nc(nc2c1cc(c(n2)Nc1ccc(cc1)S(=O)(=O)N)C#N)NCCO)N
InChI1S/C16H16N8O3S/c17-8-9-7-12-13(18)22-16(20-5-6-25)24-15(12)23-14(9)21-10-1-3-11(4-2-10)28(19,26)27/h
1-4,7,25H,5-6H2,(H2,19,26,27)(H4,18,20,21,22,23,24)
InChIKeyUCSTUUDXWZTBLH-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
Reference22000924
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesCDK4/D | CDK2/A | ALL
Pub Chem Link 57397293
Drug Bank Link -
ChemSpider Link 28485415
ChEMBL Link CHEMBL1910276
 
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