Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001799
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article21 compound
IUPAC NameN-{6-benzoylthieno[3,2-d]pyrimidin-4-yl}-1H-indol-5-amine
FormulaC21H14N4OS
Mass370.427
Exact Mass370.0888318
Composition C (68.09%), H (3.81%), N (15.12%), O (4.32%), S (8.66%)
Atom Count41
PI8.13
Smilesc1(sc2c(ncnc2c1)Nc1cc2c([nH]cc2)cc1)C(=O)c1ccccc1
InChI1S/C21H14N4OS/c26-19(13-4-2-1-3-5-13)18-11-17-20(27-18)21(24-12-23-17)25-15-6-7-16-14(10-15)8-9-22-1
6/h1-12,22H,(H,23,24,25)
InChIKeyUVCZDNANYMDIHR-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
Reference14684289
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR |
Pub Chem Link 18383038
Drug Bank Link -
ChemSpider Link 13367648
ChEMBL Link CHEMBL81712
 
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