Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003829
Inhibitor ClassPyrimido-indole
Molecule Name in Refrence Article34 compound
IUPAC NameN-phenyl-3H-pyrimido[5,4-b]indol-4-amine
FormulaC16H12N4
Mass260.2933
Exact Mass260.1061964
Composition C (73.83%), H (4.65%), N (21.52%)
Atom Count32
PI5.21
Smilesc12nc3c(c1nc[nH]c2Nc1ccccc1)cccc3
InChI1S/C16H12N4/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-16)12-8-4-5-9-13(12)20-15/h1-10,19H,(H,17,18)
InChIKeyVPNPHNWBAAUNJT-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
Reference10639288
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 5328384
Drug Bank Link -
ChemSpider Link 25040922
ChEMBL Link CHEMBL1193264
 
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