Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002200
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP493
IUPAC Name5-{4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-bromophenol
FormulaC16H16BrN5O
Mass374.235
Exact Mass373.0538228
Composition C (51.35%), H (4.31%), Br (21.35%), N (18.71%), O (4.28%)
Atom Count39
PI7.11
Smilesn1cnc2c(c1N)c(nn2C1CCCC1)c1cc(c(cc1)Br)O
InChI1S/C16H16BrN5O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,
1-4H2,(H2,18,19,20)
InChIKeyLVUGPVDXTSJQQD-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
Reference18849971
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 24905333
Drug Bank Link -
ChemSpider Link 24605125
ChEMBL Link CHEMBL1242376
 
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