Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004023
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article6a compound
IUPAC Name(E)-N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboimidothioic acid
FormulaC22H25N5O2S
Mass423.531
Exact Mass423.1728958
Composition C (62.39%), H (5.95%), N (16.54%), O (7.56%), S (7.57%)
Atom Count55
PI9.46
Smilesc12c(N3CCN(/C(=NCc4ccccc4)/S)CC3)ncnc1cc(c(c2)OC)OC
InChI1S/C22H25N5O2S/c1-28-19-12-17-18(13-20(19)29-2)24-15-25-21(17)26-8-10-27(11-9-26)22(30)23-14-16-6-4-
3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,30)
InChIKeyGMGARXSMYFVUCD-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
Reference12238930
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesVEGFR2 | FGFR | CSF1R | Erk | Flt3 | Jnk | Mek1 | Mkk3 | Mkk6 | p38 | PKA | PKC | Src | alpha-PDGFR | c-kit | beta PDGFR | ALL
Pub Chem Link 11729539
Drug Bank Link -
ChemSpider Link 9904255
ChEMBL Link CHEMBL319894
 
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