Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004540
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article34b
IUPAC NameN-{3-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]propyl}-2-hydroxy-N-methylacetamide
FormulaC25H23ClF3N5O3
Mass533.93
Exact Mass533.1441519
Composition C (56.24%), H (4.34%), Cl (6.64%), F (10.67%), N (13.12%), O (8.99%)
Atom Count60
PI9.61
Smilesc1(c2n(ccc2ncn1)CCCN(C(=O)CO)C)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F
InChI1S/C25H23ClF3N5O3/c1-33(22(36)14-35)9-3-10-34-11-8-20-23(34)24(31-15-30-20)32-17-6-7-21(19(26)13-17)
37-18-5-2-4-16(12-18)25(27,28)29/h2,4-8,11-13,15,35H,3,9-10,14H2,1H3,(H,30,31,32)
InChIKeyZTDWKMAQFRZRHT-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
Reference22003817
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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