Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003139
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article7a compound
IUPAC Name(6R)-6-(2,4-dihydroxyphenyl)-2-[(4E)-4-(furan-2-ylmethylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide
FormulaC27H22N6O7
Mass542.4996
Exact Mass542.1549971
Composition C (59.78%), H (4.09%), N (15.49%), O (20.64%)
Atom Count62
PI4.68
SmilesN1(C(=O)/C(=C/c2occc2)/C(=N1)C)C1=NC(=C([C@@H](c2c(cc(cc2)O)O)N1)C(=O)Nc1cccc(c1)[N+](=O)[O-])C
InChI1S/C27H22N6O7/c1-14-21(13-19-7-4-10-40-19)26(37)32(31-14)27-28-15(2)23(24(30-27)20-9-8-18(34)12-22(2
0)35)25(36)29-16-5-3-6-17(11-16)33(38)39/h3-13,24,34-35H,1-2H3,(H,28,30)(H,29,36)/b21-13+/t24-/m1/s1
InChIKeyDIVIUSUTSYDWGC-QYAMMSNYSA-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 enzymesCDK16 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24664249
ChEMBL Link CHEMBL1087440
 
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