Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003060
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article16 compound
IUPAC Name6-methoxy-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
FormulaC31H34N6O3S
Mass570.705
Exact Mass570.2413097
Composition C (65.24%), H (6%), N (14.73%), O (8.41%), S (5.62%)
Atom Count75
PI11.92
Smilesc1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)OC)OCCCN1CCN(CC1)C)OC
InChI1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-4-16-40-28-19-26-24(18-27(28)39-3)30(33-20-32-26)34-22-7-5
-21(6-8-22)31-35-25-10-9-23(38-2)17-29(25)41-31/h5-10,17-20H,4,11-16H2,1-3H3,(H,32,33,34)
InChIKeyMOQBNQNUPNPLCH-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
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Reported activity against other enzymesPDGFR beta | VERFR2 | TIE2 | Aurora B | Aurora A | VERFR2 | ALL
Pub Chem Link 46225611
Drug Bank Link -
ChemSpider Link 24646184
ChEMBL Link CHEMBL593306
 
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