Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003921
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5p compound
IUPAC Name5,21-dihydroxy-13-{[(3-hydroxyphenyl)methyl]amino}-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
FormulaC33H28N4O10
Mass640.5962
Exact Mass640.1805431
Composition C (61.87%), H (4.41%), N (8.75%), O (24.98%)
Atom Count75
PI5.7
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)NCc1cc(O)ccc1
InChI1S/C33H28N4O10/c38-12-19-28(42)29(43)30(44)33(47-19)36-26-16(7-3-9-18(26)41)21-23-22(20-15-6-2-8-17(
40)24(15)35-25(20)27(21)36)31(45)37(32(23)46)34-11-13-4-1-5-14(39)10-13/h1-10,19,28-30,33-35,38-44H,
11-12H2/t19-,28-,29+,30-,33-/m1/s1
InChIKeyBYTZPWNEHPPJQT-JDCTZXEMSA-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 23118759
ChEMBL Link CHEMBL282655
 
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