Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002231
Inhibitor ClassIndolone
Molecule Name in Refrence ArticleSUNITINIB
IUPAC NameN-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide
FormulaC22H27FN4O2
Mass398.4738
Exact Mass398.2118043
Composition C (66.31%), H (6.83%), F (4.77%), N (14.06%), O (8.03%)
Atom Count56
PI10.25
SmilesCc1c(c(C)c(/C=C2/c3cc(ccc3NC2=O)F)[nH]1)C(=O)NCCN(CC)CC
InChI1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)
28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKeyWINHZLLDWRZWRT-ATVHPVEESA-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
Reference12646019 | 18849971 | 20403700 |
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5329102
Drug Bank Link -
ChemSpider Link 4486264
ChEMBL Link CHEMBL535
 
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