Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004473
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5b
IUPAC Name4-({5,13-diamino-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
FormulaC15H13N7O2S2
Mass387.439
Exact Mass387.0572141
Composition C (46.5%), H (3.38%), N (25.31%), O (8.26%), S (16.55%)
Atom Count39
PI6.38
Smilesc1(ncnc2c1c1csc(c1c(n2)Nc1ccc(cc1)S(=O)(=O)N)N)N
InChI1S/C15H13N7O2S2/c16-12-10-9-5-25-13(17)11(9)15(22-14(10)20-6-19-12)21-7-1-3-8(4-2-7)26(18,23)24/h1-6
H,17H2,(H2,18,23,24)(H3,16,19,20,21,22)
InChIKeyXSWRBSAYEHXHNA-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 57402469
Drug Bank Link -
ChemSpider Link 28486009
ChEMBL Link CHEMBL1910273
 
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