Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002371
Inhibitor ClassIndolizine
Molecule Name in Refrence Article5j compound
IUPAC Name8-bromo-3-cyclopropanecarbonyl-5-methylindolizine-1-carbonitrile
FormulaC14H11BrN2O
Mass303.154
Exact Mass302.0054756
Composition C (55.47%), H (3.66%), Br (26.36%), N (9.24%), O (5.28%)
Atom Count29
PINo isoelectric point.
Smilesc1cc(n2c(c1Br)c(cc2C(=O)C1CC1)C#N)C
InChI1S/C14H11BrN2O/c1-8-2-5-11(15)13-10(7-16)6-12(17(8)13)14(18)9-3-4-9/h2,5-6,9H,3-4H2,1H3
InChIKeyNFZYOSOZVKIONF-UHFFFAOYSA-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
Reference20304535
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 49798025
Drug Bank Link -
ChemSpider Link 25032632
ChEMBL Link CHEMBL1171792
 
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