Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003141
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article8a compound
IUPAC Name(6R)-6-(2,4-dihydroxyphenyl)-2-{[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino}-4-methyl-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide
FormulaC26H20N6O7S2
Mass592.603
Exact Mass592.0834884
Composition C (52.7%), H (3.4%), N (14.18%), O (18.9%), S (10.82%)
Atom Count61
PI7.11
Smilesc1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1cccc(c1)[N+](=O)[O-])C)NN1C(=S)S/C(=C/c2occc2)/C1=O)O
InChI1S/C26H20N6O7S2/c1-13-21(23(35)28-14-4-2-5-15(10-14)32(37)38)22(18-8-7-16(33)11-19(18)34)29-25(27-13
)30-31-24(36)20(41-26(31)40)12-17-6-3-9-39-17/h2-12,22,33-34H,1H3,(H,28,35)(H2,27,29,30)/b20-12+/t22
-/m1/s1
InChIKeyMIMZYJIUTJGFBJ-FNUHDPNESA-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
Reference20045222
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesCDK18 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24665972
ChEMBL Link CHEMBL1077107
 
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