Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003227
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article4h compound
IUPAC Name3-{4-amino-7-[(3S)-pyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenol
FormulaC16H17N5O
Mass295.3391
Exact Mass295.1433102
Composition C (65.07%), H (5.8%), N (23.71%), O (5.42%)
Atom Count39
PI10.35
Smilesc12c(c(cn1[C@H]1CCNC1)c1cc(O)ccc1)c(ncn2)N
InChI1S/C16H17N5O/c17-15-14-13(10-2-1-3-12(22)6-10)8-21(11-4-5-18-7-11)16(14)20-9-19-15/h1-3,6,8-9,11,18,
22H,4-5,7H2,(H2,17,19,20)/t11-/m0/s1
InChIKeyJXOIAMLUKJBNFR-NSHDSACASA-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
Reference11277536
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesv-Abl | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 13740994
ChEMBL Link CHEMBL171545
 
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