Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003977
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article14 compound
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide
FormulaC24H29N5O3
Mass435.5188
Exact Mass435.2270398
Composition C (66.19%), H (6.71%), N (16.08%), O (11.02%)
Atom Count61
PI9.5
Smilesc12c(N3CCN(C(=O)Nc4ccc(cc4)C(C)C)CC3)ncnc1cc(c(c2)OC)OC
InChI1S/C24H29N5O3/c1-16(2)17-5-7-18(8-6-17)27-24(30)29-11-9-28(10-12-29)23-19-13-21(31-3)22(32-4)14-20(1
9)25-15-26-23/h5-8,13-16H,9-12H2,1-4H3,(H,27,30)
InChIKeyCDPYJPHBGSGNJS-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
Reference12086491
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFGFR | PKA | PKC | Src | beta PDGFR | c-Kit | Flt3 | alpha-PDGFR | ALL
Pub Chem Link 11048367
Drug Bank Link -
ChemSpider Link 9223534
ChEMBL Link CHEMBL104067
 
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