Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004277
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article19e compound
IUPAC Name(2S)-N-{4-[(3,4-dichloro-2-fluorophenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}-1-(prop-2-enoyl)pyrrolidine-2-carboxamide
FormulaC25H24Cl2FN5O4
Mass548.394
Exact Mass547.1189379
Composition C (54.75%), H (4.41%), Cl (12.93%), F (3.46%), N (12.77%), O (11.67%)
Atom Count61
PI7.99
Smilesc1(c(cc2c(c1)c(ncn2)Nc1c(c(c(cc1)Cl)Cl)F)OCCOC)NC(=O)[C@@H]1CCCN1C(=O)C=C
InChI1S/C25H24Cl2FN5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(1
4)31-16-7-6-15(26)22(27)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
InChIKeyAQSAVZBNRWMFSP-IBGZPJMESA-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
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24633361
ChEMBL Link CHEMBL571718
 
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