Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004301
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article19 compound
IUPAC NameN-hydroxy-7-[(7-methoxy-4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)oxy]heptanamide
FormulaC24H30N4O4
Mass438.5194
Exact Mass438.2267055
Composition C (65.73%), H (6.9%), N (12.78%), O (14.59%)
Atom Count62
PI7.13
Smilesc1(c(cc2c(c1)c(ncn2)N[C@@H](c1ccccc1)C)OC)OCCCCCCC(=O)NO
InChI1S/C24H30N4O4/c1-17(18-10-6-5-7-11-18)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-13-9-4-3-8-12-2
3(29)28-30/h5-7,10-11,14-17,30H,3-4,8-9,12-13H2,1-2H3,(H,28,29)(H,25,26,27)/t17-/m1/s1
InChIKeyVPPDBLLRRNCUSU-QGZVFWFLSA-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
Reference20143778
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesHDAC |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24654971
ChEMBL Link CHEMBL599218
 
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