Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001794
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article16 compound
IUPAC Name1-methyl-N-{6-phenylthieno[3,2-d]pyrimidin-4-yl}-1H-indol-5-amine
FormulaC21H16N4S
Mass356.444
Exact Mass356.1095672
Composition C (70.76%), H (4.52%), N (15.72%), S (9%)
Atom Count42
PI8.51
Smilesc12sc(cc2ncnc1Nc1cc2c(n(cc2)C)cc1)c1ccccc1
InChI1S/C21H16N4S/c1-25-10-9-15-11-16(7-8-18(15)25)24-21-20-17(22-13-23-21)12-19(26-20)14-5-3-2-4-6-14/h2
-13H,1H3,(H,22,23,24)
InChIKeyYADYTZSPBHCXQS-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 11024702
Drug Bank Link -
ChemSpider Link 9199884
ChEMBL Link CHEMBL80990
 
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