Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003924
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5s compound
IUPAC Name13-{[(2S)-2,3-dihydroxypropyl]amino}-5,21-dihydroxy-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
FormulaC29H28N4O11
Mass608.5528
Exact Mass608.1754578
Composition C (57.24%), H (4.64%), N (9.21%), O (28.92%)
Atom Count72
PI5.76
Smilesn1(c(=O)c2c(c1=O)c1c(n([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)c3c1cccc3O)c1c2c2c([nH]1)c(O)ccc2)NC[C@H](O)CO
InChI1S/C29H28N4O11/c34-8-10(36)7-30-33-27(42)18-16-11-3-1-5-13(37)20(11)31-21(16)23-17(19(18)28(33)43)12
-4-2-6-14(38)22(12)32(23)29-26(41)25(40)24(39)15(9-35)44-29/h1-6,10,15,24-26,29-31,34-41H,7-9H2/t10-
,15+,24+,25-,26+,29+/m0/s1
InChIKeyCGXUCXBMOLKQLI-UBVFKSLFSA-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 -
ChEMBL Link CHEMBL266182
 
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