Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003438
Inhibitor ClassBenzoxazole
Molecule Name in Refrence Article22 compound
IUPAC Name4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
FormulaC26H26ClN5O4
Mass507.969
Exact Mass507.1673321
Composition C (61.48%), H (5.16%), Cl (6.98%), N (13.79%), O (12.6%)
Atom Count62
PI9.26
Smilesc1cc(cc(c1Cl)OC[C@H]1N(CCC1)C)Nc1nc2cc(ccc2o1)Oc1cc(ncc1)C(=O)NC
InChI1S/C26H26ClN5O4/c1-28-25(33)22-14-19(9-10-29-22)35-18-6-8-23-21(13-18)31-26(36-23)30-16-5-7-20(27)24
(12-16)34-15-17-4-3-11-32(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,28,33)(H,30,31)/t17-/m0/s1
InChIKeyKMNCFOUKJYOZIF-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
Reference17696416
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesCDK1 | CDK5p25 | cFMS | c-Kit | c-Met | E2K2 | FGF | GSK-3 beta | IGFR1 | JNK1 | JNK2 | JNK3 | KDR | LCK | p38 alpha | p38 beta | Src | TIE2 | Zap70 | ALL
Pub Chem Link 11620410
Drug Bank Link -
ChemSpider Link 9795158
ChEMBL Link CHEMBL231568
 
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