Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003905
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article3b (NB-506)
IUPAC NameN-{5,21-dihydroxy-12,14-dioxo-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-nonaen-13-yl}formamide
FormulaC27H22N4O10
Mass562.4844
Exact Mass562.1335929
Composition C (57.65%), H (3.94%), N (9.96%), O (28.44%)
Atom Count63
PI2.97
Smilesn1([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c2c3c(c4c(c2c2c1c(O)ccc2)c(=O)n(c4=O)NC=O)c1c([nH]3)c(O)ccc1
InChI1S/C27H22N4O10/c32-7-13-22(36)23(37)24(38)27(41-13)30-20-10(4-2-6-12(20)35)15-17-16(25(39)31(26(17)4
0)28-8-33)14-9-3-1-5-11(34)18(9)29-19(14)21(15)30/h1-6,8,13,22-24,27,29,32,34-38H,7H2,(H,28,33)/t13-
,22-,23+,24-,27-/m1/s1
InChIKeyWHTCLLAVOBBKHK-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 -
Drug Bank Link -
ChemSpider Link 8091509
ChEMBL Link -
 
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