Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001006
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article40 compound
IUPAC NameN-[3-(trifluoromethyl)phenyl]-5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-amine
FormulaC17H15F3N4
Mass332.323
Exact Mass332.1248811
Composition C (61.44%), H (4.55%), F (17.15%), N (16.86%)
Atom Count39
PI10.29
Smilesn1cnc2c(c1Nc1cc(ccc1)C(F)(F)F)c1c([nH]2)CCCC1
InChI1S/C17H15F3N4/c18-17(19,20)10-4-3-5-11(8-10)23-15-14-12-6-1-2-7-13(12)24-16(14)22-9-21-15/h3-5,8-9H,
1-2,6-7H2,(H2,21,22,23,24)
InChIKeyJCCYHFCPFOFIMP-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
Reference8691423
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 10806455
Drug Bank Link -
ChemSpider Link 8981760
ChEMBL Link CHEMBL440873
 
TOP