Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002257
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article2 compound
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
FormulaC24H20N4O2S
Mass428.506
Exact Mass428.1306966
Composition C (67.27%), H (4.7%), N (13.07%), O (7.47%), S (7.48%)
Atom Count51
PI10.22
Smilesc1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1C)c1nc2c(s1)cccc2)OC)OC
InChI1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(
16)25-13-26-23/h4-13H,1-3H3,(H,25,26,27)
InChIKeyILOAUSWXRCKWFH-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 | 19211246 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesEphB4 | IGF1R | InsR | Src | VEGFR2 | Aurora B | Aurora A | TIE2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23335982
ChEMBL Link CHEMBL514942
 
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