Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003316
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article8e compound
IUPAC Name(2E)-N-[4-({3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
FormulaC33H29ClN6O2S2
Mass641.205
Exact Mass640.1481933
Composition C (61.81%), H (4.56%), Cl (5.53%), N (13.11%), O (4.99%), S (10%)
Atom Count73
PI10.67
Smilesc1(c(cc2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)Sc1scc(n1)c1ccccc1)OCC)NC(=O)/C=C/CN(C)C
InChI1S/C33H29ClN6O2S2/c1-4-42-29-17-26-24(16-27(29)38-31(41)11-8-14-40(2)3)32(22(18-35)19-36-26)37-23-12
-13-30(25(34)15-23)44-33-39-28(20-43-33)21-9-6-5-7-10-21/h5-13,15-17,19-20H,4,14H2,1-3H3,(H,36,37)(H
,38,41)/b11-8+
InChIKeyYAWRCBHLRDCILP-DHZHZOJOSA-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
Reference15715478
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 11365726
Drug Bank Link -
ChemSpider Link 9540650
ChEMBL Link CHEMBL367492
 
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