Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003066
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article22 compound
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-6-methoxy-N-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
FormulaC32H36N6O3S
Mass584.732
Exact Mass584.2569597
Composition C (65.73%), H (6.21%), N (14.37%), O (8.21%), S (5.48%)
Atom Count78
PINo isoelectric point.
Smilesc1(c(cc2c(c1)c(ncn2)N(c1ccc(c(c1)OC)c1nc2c(s1)cccc2)C)OCCCN1CCN(CC1)C)OC
InChI1S/C32H36N6O3S/c1-36-13-15-38(16-14-36)12-7-17-41-29-20-26-24(19-28(29)40-4)31(34-21-33-26)37(2)22-1
0-11-23(27(18-22)39-3)32-35-25-8-5-6-9-30(25)42-32/h5-6,8-11,18-21H,7,12-17H2,1-4H3
InChIKeyNSXLLHJZQNFGCH-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 enzymesPDGFR beta | TIE2 | VERFR2 | Aurora A | Aurora B | ALL
Pub Chem Link 46225668
Drug Bank Link -
ChemSpider Link 24646072
ChEMBL Link CHEMBL593770
 
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