Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003918
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5m compound
IUPAC Name5,21-dihydroxy-13-(methylamino)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione
FormulaC27H24N4O9
Mass548.5009
Exact Mass548.1543284
Composition C (59.12%), H (4.41%), N (10.21%), O (26.25%)
Atom Count64
PI6.15
Smilesn1([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c2c3c(c4c(=O)n(c(=O)c4c2c2c1c(O)ccc2)NC)c1c([nH]3)c(O)ccc1
InChI1S/C27H24N4O9/c1-28-31-25(38)16-14-9-4-2-6-11(33)18(9)29-19(14)21-15(17(16)26(31)39)10-5-3-7-12(34)2
0(10)30(21)27-24(37)23(36)22(35)13(8-32)40-27/h2-7,13,22-24,27-29,32-37H,8H2,1H3/t13-,22-,23+,24-,27
-/m1/s1
InChIKeyFYCRLNBEUFLEDZ-ISCYQWKGSA-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
Reference10340602
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPKC |
Pub Chem Link 10256936
Drug Bank Link -
ChemSpider Link 8432419
ChEMBL Link CHEMBL277667
 
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