Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002247
Inhibitor ClassBenzo-thiazole
Molecule Name in Refrence Article16 compound
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine
FormulaC19H12N4S2
Mass360.455
Exact Mass360.0503378
Composition C (63.31%), H (3.36%), N (15.54%), S (17.79%)
Atom Count37
PI8.48
Smilesc1c(ccc(c1)c1nc2c(s1)cccc2)Nc1ncnc2c1scc2
InChI1S/C19H12N4S2/c1-2-4-16-14(3-1)23-19(25-16)12-5-7-13(8-6-12)22-18-17-15(9-10-24-17)20-11-21-18/h1-11
H,(H,20,21,22)
InChIKeyZCGDFAQAYLXLJV-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 enzymesIGF1R | InsR | Src | TIE2 | VEGFR2 | VEGFR3 | Aurora A | Aurora B | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23335873
ChEMBL Link CHEMBL472946
 
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