Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004101
Inhibitor ClassDiazepinone
Molecule Name in Refrence Article46d compound
IUPAC Name2-[14-(4-amino-3-methoxyphenyl)-10-oxo-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-yl]-2-methyl-N-[4-(morpholin-4-yl)phenyl]propanamide
FormulaC34H35N5O4
Mass577.6728
Exact Mass577.2689046
Composition C (70.69%), H (6.11%), N (12.12%), O (11.08%)
Atom Count78
PI7.75
Smilesc1c(cc2[nH]c3c([nH]c(=O)c2c1)cc(cc3)C(C(=O)Nc1ccc(cc1)N1CCOCC1)(C)C)c1ccc(c(c1)OC)N
InChI1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)2
6-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38
,40)
InChIKeyUWHWQUTVFLDMPJ-UHFFFAOYSA-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
Reference17658776
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAkt1 | AMPK | CDC2 | CK2 | c-Kit | CSF1R | cTAK | Emk | ERK2 | FGFR1 | Flt1 | Flt3 | GSK-3b | Kdr | MAPKAPKA | PDGFR | PKA | PKC delta | PKC gamma | Plk1 | Rsk2 | SGK | SRC | Aur2 | Chk2 | Ikkb | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23288367
ChEMBL Link CHEMBL389745
 
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