Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004348
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6 (AL237)
IUPAC NameN-[2-({2-[(2E)-3-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}triaz-2-en-1-yl]ethyl}(methyl)amino)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
FormulaC31H34ClN9O2S
Mass632.179
Exact Mass631.2244698
Composition C (58.9%), H (5.42%), Cl (5.61%), N (19.94%), O (5.06%), S (5.07%)
Atom Count78
PI8.42
SmilesC(N/N=N/c1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)CN(CCNS(=O)(=O)c1c2cccc(c2ccc1)N(C)C)C
InChI1S/C31H34ClN9O2S/c1-40(2)29-11-5-10-26-25(29)9-6-12-30(26)44(42,43)36-16-18-41(3)17-15-35-39-38-24-1
3-14-28-27(20-24)31(34-21-33-28)37-23-8-4-7-22(32)19-23/h4-14,19-21,36H,15-18H2,1-3H3,(H,35,38)(H,33
,34,37)
InChIKeyKYVRWAGUEBMRLC-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
Reference20151639
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 -
Drug Bank Link -
ChemSpider Link 24644601
ChEMBL Link CHEMBL591897
 
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