Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002254
Inhibitor ClassBenzo-thiazole
Molecule Name in Refrence Article23 compound
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-fluorophenyl]-7-chloroquinazolin-4-amine
FormulaC21H12ClFN4S
Mass406.863
Exact Mass406.045523
Composition C (61.99%), H (2.97%), Cl (8.71%), F (4.67%), N (13.77%), S (7.88%)
Atom Count40
PI7.95
Smilesc1(c(ccc(c1)c1nc2c(s1)cccc2)Nc1ncnc2c1ccc(c2)Cl)F
InChI1S/C21H12ClFN4S/c22-13-6-7-14-18(10-13)24-11-25-20(14)26-16-8-5-12(9-15(16)23)21-27-17-3-1-2-4-19(17
)28-21/h1-11H,(H,24,25,26)
InChIKeyRKGNVOKYSGKVQZ-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
Reference19211246
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesAurora A | InsR | EphB4 | TIE2 | IGF1R | Aurora B | Src | VEGFR2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23335980
ChEMBL Link CHEMBL473557
 
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