Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003143
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article8c compound
IUPAC Name(6R)-6-(2,4-dihydroxyphenyl)-4-methyl-N-(3-nitrophenyl)-2-{[(5E)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]amino}-1,6-dihydropyrimidine-5-carboxamide
FormulaC28H22N6O6S2
Mass602.641
Exact Mass602.1042238
Composition C (55.8%), H (3.68%), N (13.95%), O (15.93%), S (10.64%)
Atom Count64
PI7.07
Smilesc1c(c(ccc1O)[C@H]1NC(=NC(=C1C(=O)Nc1cccc(c1)[N+](=O)[O-])C)NN1C(=S)S/C(=C/c2ccccc2)/C1=O)O
InChI1S/C28H22N6O6S2/c1-15-23(25(37)30-17-8-5-9-18(13-17)34(39)40)24(20-11-10-19(35)14-21(20)36)31-27(29-
15)32-33-26(38)22(42-28(33)41)12-16-6-3-2-4-7-16/h2-14,24,35-36H,1H3,(H,30,37)(H2,29,31,32)/b22-12+/
t24-/m1/s1
InChIKeyCJMLIHLVNSBIDD-SEXPAEGTSA-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 enzymesCDK20 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24665016
ChEMBL Link CHEMBL1077086
 
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