Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003920
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5o compound
IUPAC Name5,21-dihydroxy-13-(propylamino)-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
FormulaC29H28N4O9
Mass576.554
Exact Mass576.1856285
Composition C (60.41%), H (4.9%), N (9.72%), O (24.98%)
Atom Count70
PI6.29
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)NCCC)c1c([nH]3)c(O)ccc1
InChI1S/C29H28N4O9/c1-2-9-30-33-27(40)18-16-11-5-3-7-13(35)20(11)31-21(16)23-17(19(18)28(33)41)12-6-4-8-1
4(36)22(12)32(23)29-26(39)25(38)24(37)15(10-34)42-29/h3-8,15,24-26,29-31,34-39H,2,9-10H2,1H3/t15-,24
-,25+,26-,29-/m1/s1
InChIKeyDEBAMPWICXUPGO-FIVAAQFZSA-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 23118760
ChEMBL Link CHEMBL21096
 
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