Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001796
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article18 compound
IUPAC Name3-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
PI8.5
Smilesc12sc(cc2ncnc1Nc1cc2c(c[nH]c2cc1)C)c1ccccc1
InChI1S/C21H16N4S/c1-13-11-22-17-8-7-15(9-16(13)17)25-21-20-18(23-12-24-21)10-19(26-20)14-5-3-2-4-6-14/h2
-12,22H,1H3,(H,23,24,25)
InChIKeyRDSINGBRTMDIHM-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 18382736
Drug Bank Link -
ChemSpider Link 13367335
ChEMBL Link CHEMBL310827
 
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