Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004025
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article4u compound
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-N-(thiophen-3-yl)piperazine-1-carboxamide
FormulaC19H21N5O3S
Mass399.467
Exact Mass399.1365103
Composition C (57.13%), H (5.3%), N (17.53%), O (12.02%), S (8.03%)
Atom Count49
PI8.82
Smilesc12c(N3CCN(C(=O)Nc4ccsc4)CC3)ncnc1cc(c(c2)OC)OC
InChI1S/C19H21N5O3S/c1-26-16-9-14-15(10-17(16)27-2)20-12-21-18(14)23-4-6-24(7-5-23)19(25)22-13-3-8-28-11-
13/h3,8-12H,4-7H2,1-2H3,(H,22,25)
InChIKeySACBQFMSEKIABM-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
Find Similar Compounds
                                   

Reported activity against other enzymesFGFR | PKA | PKC | beta PDGFR | Flt3 | c-kit | ALL
Pub Chem Link 10386217
Drug Bank Link -
ChemSpider Link 8561659
ChEMBL Link CHEMBL343521
 
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