Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004069
Inhibitor ClassUnknown
Molecule Name in Refrence ArticleAG538
IUPAC Name(2E)-2-[(E)-[(1S)-3,4-dihydroxycyclohexa-2,4-dien-1-yl]carbonyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
FormulaC16H13NO5
Mass299.2781
Exact Mass299.0793725
Composition C (64.21%), H (4.38%), N (4.68%), O (26.73%)
Atom Count35
PINo isoelectric point.
Smilesc1c(c(ccc1/C=C(C#N)/C(=O)[C@H]1CC=C(C(=C1)O)O)O)O
InChI1S/C16H13NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1,3-7,10,18-21H,2H2/b11
-5+/t10-/m0/s1
InChIKeyBGPRCOUANGKOJL-XXNJBDPSSA-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
Reference16279804
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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