Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002185
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP430
IUPAC Name5-{4-amino-1-[(3R)-oxolan-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol
FormulaC15H14ClN5O2
Mass331.757
Exact Mass331.0836024
Composition C (54.3%), H (4.25%), Cl (10.69%), N (21.11%), O (9.65%)
Atom Count37
PI7.02
Smilesn1cnc2c(c1N)c(nn2[C@@H]1CCOC1)c1cc(c(cc1)Cl)O
InChI1S/C15H14ClN5O2/c16-10-2-1-8(5-11(10)22)13-12-14(17)18-7-19-15(12)21(20-13)9-3-4-23-6-9/h1-2,5,7,9,2
2H,3-4,6H2,(H2,17,18,19)/t9-/m1/s1
InChIKeyCOAQRADEUYYCDG-SECBINFHSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 24905318
Drug Bank Link -
ChemSpider Link 24605140
ChEMBL Link CHEMBL1241768
 
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