Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004495
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article4a
IUPAC Nameol
FormulaC27H32ClN4O4
Mass512.02
Exact Mass511.2112082
Composition C (63.34%), H (6.3%), Cl (6.92%), N (10.94%), O (12.5%)
Atom Count68
PI10.64
Smilesc1c(c(cc2c1c(c(cn2)C(=O)NC1CC(N(C(C1)(C)C)[O])(C)C)Nc1cccc(c1)Cl)OC)OC
InChI1S/C27H32ClN4O4/c1-26(2)13-18(14-27(3,4)32(26)34)31-25(33)20-15-29-21-12-23(36-6)22(35-5)11-19(21)24
(20)30-17-9-7-8-16(28)10-17/h7-12,15,18H,13-14H2,1-6H3,(H,29,30)(H,31,33)
InChIKeyBGPSYCLMKCEUGQ-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
Reference22309911
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 57403923
Drug Bank Link -
ChemSpider Link 28429782
ChEMBL Link CHEMBL1947126
 
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