Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003065
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article21 compound
IUPAC NameN-[4-(6-chloro-1,3-benzothiazol-2-yl)-2-fluorophenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
FormulaC30H30ClFN6O2S
Mass593.115
Exact Mass592.1823508
Composition C (60.75%), H (5.1%), Cl (5.98%), F (3.2%), N (14.17%), O (5.4%), S (5.41%)
Atom Count71
PI10.69
Smilesc1(c(cc2c(c1)c(ncn2)Nc1c(cc(c2nc3c(s2)cc(cc3)Cl)cc1)F)OCCCN1CCN(CC1)C)OC
InChI1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-
4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35)
InChIKeyWZTHBTBWYVSGPF-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
Reference19692247
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVERFR2 | VERFR2 | TIE2 | Aurora A | Aurora B | PDGFR beta | ALL
Pub Chem Link 46225667
Drug Bank Link -
ChemSpider Link 24647540
ChEMBL Link CHEMBL593909
 
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