Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004157
Inhibitor ClassDiazepine
Molecule Name in Refrence Article10e compound
IUPAC NameN-phenyl({3-[(2R)-12,14-dioxo-10,13,16-triazahexacyclo[14.6.1.0^{2,10}.0^{4,9}.0^{11,15}.0^{19,23}]tricosa-1(22),4,6,8,11(15),17,19(23),20-octaen-13-yl]propyl}sulfanyl)methanimidamide
FormulaC30H25N5O2S
Mass519.617
Exact Mass519.1728958
Composition C (69.34%), H (4.85%), N (13.48%), O (6.16%), S (6.17%)
Atom Count63
PINo isoelectric point.
Smilesc1ccc2c(c1)N1[C@H](C2)c2c3n(ccc3ccc2)C2=C1C(=O)N(C2=O)CCCSC(=N)Nc1ccccc1
InChI1S/C30H25N5O2S/c31-30(32-21-10-2-1-3-11-21)38-17-7-15-34-28(36)26-27(29(34)37)35-23-13-5-4-8-20(23)1
8-24(35)22-12-6-9-19-14-16-33(26)25(19)22/h1-6,8-14,16,24H,7,15,17-18H2,(H2,31,32)/t24-/m1/s1
InChIKeyZKGCHTUYVMLBSI-XMMPIXPASA-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
Reference19053831
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesSRC | VEGFR2 | CDK2/CycA | CDK4/CycD1 | TIE2 | VEGFR3 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23333107
ChEMBL Link CHEMBL487254
 
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