Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003050
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6 compound
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
FormulaC31H34N6O2S
Mass554.706
Exact Mass554.2463951
Composition C (67.12%), H (6.18%), N (15.15%), O (5.77%), S (5.78%)
Atom Count74
PI12.03
Smilesc1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1C)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC
InChI1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)3
2-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
InChIKeySSHDKAJDJAVHAF-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 | VERFR2 | TIE2 | Aurora B | PDGFR beta | ALL
Pub Chem Link 46225688
Drug Bank Link -
ChemSpider Link 24647082
ChEMBL Link CHEMBL595406
 
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