Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003069
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article25 compound
IUPAC Name4-[4-(1,3-benzothiazol-2-yl)phenoxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline
FormulaC29H28N4O3S
Mass512.623
Exact Mass512.1882115
Composition C (67.95%), H (5.51%), N (10.93%), O (9.36%), S (6.26%)
Atom Count65
PINo isoelectric point.
Smilesc1(c(cc2c(c1)c(ncn2)Oc1ccc(cc1)c1nc2c(s1)cccc2)OCCCN1CCCC1)OC
InChI1S/C29H28N4O3S/c1-34-25-17-22-24(18-26(25)35-16-6-15-33-13-4-5-14-33)30-19-31-28(22)36-21-11-9-20(10
-12-21)29-32-23-7-2-3-8-27(23)37-29/h2-3,7-12,17-19H,4-6,13-16H2,1H3
InChIKeyZIJIMHMKDXTURQ-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 B | Aurora A | VERFR2 | TIE2 | PDGFR beta | ALL
Pub Chem Link 44552562
Drug Bank Link -
ChemSpider Link 24648138
ChEMBL Link CHEMBL595373
 
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