Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000925
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article36 compound
IUPAC NameN-(3-bromophenyl)-6-[(R)-ethenesulfinyl]pyrido[3,4-d]pyrimidin-4-amine
FormulaC15H11BrN4OS
Mass375.243
Exact Mass373.9836943
Composition C (48.01%), H (2.95%), Br (21.29%), N (14.93%), O (4.26%), S (8.55%)
Atom Count33
PI9.76
Smiles[S@@](=O)(C=C)c1cc2c(ncnc2cn1)Nc1cccc(c1)Br
InChI1S/C15H11BrN4OS/c1-2-22(21)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h2-9H,1H2,(H,18,1
9,20)/t22-/m1/s1
InChIKeyUIYHGNBEHXNFBN-JOCHJYFZSA-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
Reference11462982
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 4486259
ChEMBL Link CHEMBL345077
 
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