Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002527
Inhibitor ClassIso-quinoline
Molecule Name in Refrence Article13 compound
IUPAC Nameethyl N-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}carbamate
FormulaC19H15BrN4O2
Mass411.252
Exact Mass410.0378384
Composition C (55.49%), H (3.68%), Br (19.43%), N (13.62%), O (7.78%)
Atom Count41
PI7.36
Smilesc1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)OCC
InChI1S/C19H15BrN4O2/c1-2-26-19(25)24-15-6-7-16-12(10-21)11-22-18(17(16)9-15)23-14-5-3-4-13(20)8-14/h3-9,
11H,2H2,1H3,(H,22,23)(H,24,25)
InChIKeyKALBEVISAZNDOS-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
Reference21130659
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 53324440
Drug Bank Link -
ChemSpider Link 26379912
ChEMBL Link CHEMBL1641994
 
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