Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002029
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7g compound
IUPAC Name3-cyclohexyl-N-(4-methoxyphenyl)-2-(propan-2-yl)-3H-imidazo[4,5-g]quinazolin-8-amine
FormulaC25H29N5O
Mass415.5307
Exact Mass415.2372106
Composition C (72.26%), H (7.03%), N (16.85%), O (3.85%)
Atom Count60
PI10.98
Smilesc1(nc2cc3c(Nc4ccc(cc4)OC)ncnc3cc2n1C1CCCCC1)C(C)C
InChI1S/C25H29N5O/c1-16(2)25-29-22-13-20-21(14-23(22)30(25)18-7-5-4-6-8-18)26-15-27-24(20)28-17-9-11-19(3
1-3)12-10-17/h9-16,18H,4-8H2,1-3H3,(H,26,27,28)
InChIKeyPXNYQCSMAWJROH-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
Reference18313807
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 25028887
Drug Bank Link -
ChemSpider Link 23336702
ChEMBL Link CHEMBL514149
 
TOP