Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002264
Inhibitor ClassBenzo-thiazole
Molecule Name in Refrence Article33 compound
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC19H13N5S
Mass343.405
Exact Mass343.0891661
Composition C (66.45%), H (3.82%), N (20.39%), S (9.34%)
Atom Count38
PI9.97
SmilesN(c1cc(ccc1)c1nc2c(s1)cccc2)c1ncnc2c1cc[nH]2
InChI1S/C19H13N5S/c1-2-7-16-15(6-1)24-19(25-16)12-4-3-5-13(10-12)23-18-14-8-9-20-17(14)21-11-22-18/h1-11H
,(H2,20,21,22,23)
InChIKeyBMGGDZTXJBWQCN-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 | EphB4 | IGF1R | InsR | PDGFR beta | Src | VEGFR2 | VEGFR3 | TIE2 | Aurora B | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23336086
ChEMBL Link CHEMBL490555
 
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