Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002250
Inhibitor ClassBenzo-thiazole
Molecule Name in Refrence Article19 compound
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine
FormulaC19H11FN4S2
Mass378.446
Exact Mass378.040916
Composition C (60.3%), H (2.93%), F (5.02%), N (14.8%), S (16.95%)
Atom Count37
PI7.22
Smilesc1(c(ccc(c1)c1nc2c(s1)cccc2)Nc1ncnc2c1scc2)F
InChI1S/C19H11FN4S2/c20-12-9-11(19-24-14-3-1-2-4-16(14)26-19)5-6-13(12)23-18-17-15(7-8-25-17)21-10-22-18/
h1-10H,(H,21,22,23)
InChIKeyRSIMWZIJZCXPJV-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 enzymesInsR | Src | VEGFR2 | VEGFR3 | Aurora B | Aurora A | TIE2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23335928
ChEMBL Link CHEMBL474347
 
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