Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004263
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13d compound
IUPAC Name(3R)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-6-yl)-1-(prop-2-enoyl)pyrrolidine-3-carboxamide
FormulaC28H25ClN6O3
Mass528.989
Exact Mass528.1676664
Composition C (63.57%), H (4.76%), Cl (6.7%), N (15.89%), O (9.07%)
Atom Count63
PI9.01
Smilesc12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)NC(=O)[C@@H]1CCN(C1)C(=O)C=C
InChI1S/C28H25ClN6O3/c1-2-26(36)35-12-10-18(15-35)28(37)34-19-6-8-24-22(13-19)27(32-17-31-24)33-20-7-9-25
(23(29)14-20)38-16-21-5-3-4-11-30-21/h2-9,11,13-14,17-18H,1,10,12,15-16H2,(H,34,37)(H,31,32,33)/t18-
/m1/s1
InChIKeyWBWRRMZNIKFNOC-GOSISDBHSA-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
Reference19888761
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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