Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005026
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article1c
IUPAC NameN-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methyl-2-methylsulfonylpropanamide
FormulaC26H25ClF3N5O4S
Mass596.021
Exact Mass595.126787325
Composition C (52.39%), H (4.23%), Cl (5.95%), F (9.56%), N (11.75%), O (10.74%), S (5.38%)
Atom Count65
PI9.98
SmilesCC(C)(C(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)S(=O)(=O)C
InChI1S/C26H25ClF3N5O4S/c1-25(2,40(3,37)38)24(36)31-10-12-35-11-9-20-22(35)23(33-15-32-20)34-17-7-8-21(19
(27)14-17)39-18-6-4-5-16(13-18)26(28,29)30/h4-9,11,13-15H,10,12H2,1-3H3,(H,31,36)(H,32,33,34)
InChIKeyGCMJIBUKSLVDKY-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
Reference22980219
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 57597316
Drug Bank Link -
ChemSpider Link 10762174
ChEMBL Link CHEMBL2087361
 
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