Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004267
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13h compound
IUPAC Name(2R)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-6-yl)-1-(prop-2-enoyl)pyrrolidine-2-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
PI8.71
Smilesc12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)NC(=O)[C@H]1CCCN1C(=O)C=C
InChI1S/C28H25ClN6O3/c1-2-26(36)35-13-5-7-24(35)28(37)34-18-8-10-23-21(14-18)27(32-17-31-23)33-19-9-11-25
(22(29)15-19)38-16-20-6-3-4-12-30-20/h2-4,6,8-12,14-15,17,24H,1,5,7,13,16H2,(H,34,37)(H,31,32,33)/t2
4-/m1/s1
InChIKeyPATOINKGPJAMCV-XMMPIXPASA-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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