Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004906
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article43
IUPAC NameN-(4-fluorophenyl)-6-[(1H-indol-2-yl)carbonyl]thieno[2,3-d]pyrimidin-4-amine
FormulaC21H13FN4OS
Mass388.418
Exact Mass388.07941
Composition C (64.94%), H (3.37%), F (4.89%), N (14.42%), O (4.12%), S (8.26%)
Atom Count41
PI7.36
SmilesFc1ccc(Nc2c3cc(sc3ncn2)C(=O)c2cc3ccccc3[nH]2)cc1
InChI1S/C21H13FN4OS/c22-13-5-7-14(8-6-13)25-20-15-10-18(28-21(15)24-11-23-20)19(27)17-9-12-3-1-2-4-16(12)
26-17/h1-11,26H,(H,23,24,25)
InChIKeyOOJCXKRYYHGMOA-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
Reference22169601
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesVEGFR2 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 28429415
ChEMBL Link CHEMBL1928310
 
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