Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003053
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article9 compound
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethoxy)phenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
FormulaC31H31F3N6O3S
Mass624.676
Exact Mass624.2130442
Composition C (59.6%), H (5%), F (9.12%), N (13.45%), O (7.68%), S (5.13%)
Atom Count75
PI10.98
Smilesc1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1OC(F)(F)F)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC
InChI1S/C31H31F3N6O3S/c1-39-11-13-40(14-12-39)10-5-15-42-27-18-24-21(17-26(27)41-2)29(36-19-35-24)37-22-9
-8-20(16-25(22)43-31(32,33)34)30-38-23-6-3-4-7-28(23)44-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,35,36,
37)
InChIKeyZQXWSHOYNMQRDD-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 | Aurora A | Aurora B | TIE2 | PDGFR beta | ALL
Pub Chem Link 46225598
Drug Bank Link -
ChemSpider Link 24646151
ChEMBL Link CHEMBL593245
 
TOP