Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004100
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article18 compound
IUPAC NameN-(3-chlorophenyl)-6-[(1E)-3-(2-{[(2S)-2-chloropropyl](4-methoxyphenyl)amino}ethyl)triaz-1-en-1-yl]quinazolin-4-amine
FormulaC26H27Cl2N7O
Mass524.445
Exact Mass523.1654139
Composition C (59.54%), H (5.19%), Cl (13.52%), N (18.7%), O (3.05%)
Atom Count63
PI9.24
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/NCCN(C[C@@H](Cl)C)c1ccc(cc1)OC
InChI1S/C26H27Cl2N7O/c1-18(27)16-35(22-7-9-23(36-2)10-8-22)13-12-31-34-33-21-6-11-25-24(15-21)26(30-17-29
-25)32-20-5-3-4-19(28)14-20/h3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,31,33)(H,29,30,32)/t18-/m0/s1
InChIKeyOQMCTCBSARHFKL-SFHVURJKSA-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
Reference17472358
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 16719965
Drug Bank Link -
ChemSpider Link 17624337
ChEMBL Link CHEMBL225721
 
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