Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003068
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article24 compound
IUPAC Name4-[4-(1,3-benzothiazol-2-yl)phenoxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
FormulaC30H31N5O3S
Mass541.664
Exact Mass541.2147606
Composition C (66.52%), H (5.77%), N (12.93%), O (8.86%), S (5.92%)
Atom Count70
PINo isoelectric point.
Smilesc1(c(cc2c(c1)c(ncn2)Oc1ccc(cc1)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC
InChI1S/C30H31N5O3S/c1-34-13-15-35(16-14-34)12-5-17-37-27-19-25-23(18-26(27)36-2)29(32-20-31-25)38-22-10-
8-21(9-11-22)30-33-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3
InChIKeyCVMUHXWSBHMVGZ-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 | PDGFR beta | TIE2 | Aurora B | Aurora A | ALL
Pub Chem Link 12000646
Drug Bank Link -
ChemSpider Link 10173113
ChEMBL Link CHEMBL595143
 
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