Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000412
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article(+)-Staurosporine
IUPAC Name(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one
FormulaC28H26N4O3
Mass466.531
Exact Mass466.2004907
Composition C (72.09%), H (5.62%), N (12.01%), O (10.29%)
Atom Count61
PI11.85
Smiles[C@@]12(n3c4c5n([C@H](O1)C[C@H]([C@H]2OC)NC)c1c(c5c2c(c4c4c3cccc4)CNC2=O)cccc1)C
InChI1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9
-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
InChIKeyHKSZLNNOFSGOKW-FYTWVXJKSA-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
Reference12941331 | 16765046 | 21353571 | 21724404 | 15711537 | 21724404 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPDGFR alpha | VEGFR-2 or KDR | VEGFR-1 or FLT1 | ABL-1 | PDGFR beta | PI3K alpha | PDGFR-alpha | PDGFR-beta | VEGFR-1(FLT1) | VEGFR-2(KDR) | ABL-1 | PI3K-a | ALL
Pub Chem Link 44259
Drug Bank Link -
ChemSpider Link 40272
ChEMBL Link CHEMBL388978
 
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