Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002734
Inhibitor ClassAcrylo-phenone
Molecule Name in Refrence Article20 compound
IUPAC Name{[(2R)-3-[4-(benzyloxy)phenyl]-2-[(dimethylamino)methyl]-3-oxopropyl]amino}urea
FormulaC20H26N4O3
Mass370.4454
Exact Mass370.2004907
Composition C (64.84%), H (7.07%), N (15.12%), O (12.96%)
Atom Count53
PI10.17
SmilesCN(C)C[C@H](CNNC(=O)N)C(=O)c1ccc(OCc2ccccc2)cc1
InChI1S/C20H26N4O3/c1-24(2)13-17(12-22-23-20(21)26)19(25)16-8-10-18(11-9-16)27-14-15-6-4-3-5-7-15/h3-11,1
7,22H,12-14H2,1-2H3,(H3,21,23,26)/t17-/m0/s1
InChIKeyPAMFLGPSTJPJQG-KRWDZBQOSA-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
Reference7608909
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | v-ab1 | PKC | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 9901359
ChEMBL Link CHEMBL1190636
 
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