Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005012
Inhibitor ClassIso-quinoline
Molecule Name in Refrence Article6c
IUPAC Name8-hydroxy-6-methoxy-2-[3-(piperidine-1-carbonyl)phenyl]isoquinolin-1-one
FormulaC22H22N2O4
Mass378.4211
Exact Mass378.157957202
Composition C (69.83%), H (5.86%), N (7.4%), O (16.91%)
Atom Count50
PI3.77
SmilesCOC1=CC(=C2C(=C1)C=CN(C2=O)C3=CC=CC(=C3)C(=O)N4CCCCC4)O
InChI1S/C22H22N2O4/c1-28-18-13-15-8-11-24(22(27)20(15)19(25)14-18)17-7-5-6-16(12-17)21(26)23-9-3-2-4-10-2
3/h5-8,11-14,25H,2-4,9-10H2,1H3
InChIKeyCVUCKZLRRVRQKD-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
Reference24094432
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 72697722
Drug Bank Link -
ChemSpider Link 9795656
ChEMBL Link CHEMBL1614725
 
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