Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004634
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article11b
IUPAC Name4-({5,13-diamino-11-[(2-hydroxyethyl)amino]-4-thia-8,10,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2,5,7,10,12-hexaen-7-yl}amino)benzene-1-sulfonamide
FormulaC17H18N8O3S2
Mass446.507
Exact Mass446.0943279
Composition C (45.73%), H (4.06%), N (25.1%), O (10.75%), S (14.36%)
Atom Count48
PI7.3
Smilesc1(nc(nc2c1c1csc(c1c(n2)Nc1ccc(cc1)S(=O)(=O)N)N)NCCO)N
InChI1S/C17H18N8O3S2/c18-13-11-10-7-29-14(19)12(10)16(24-15(11)25-17(23-13)21-5-6-26)22-8-1-3-9(4-2-8)30(
20,27)28/h1-4,7,26H,5-6,19H2,(H2,20,27,28)(H4,18,21,22,23,24,25)
InChIKeyIKPTXEDXWVBDEI-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 57392009
Drug Bank Link -
ChemSpider Link 28486253
ChEMBL Link CHEMBL1910279
 
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