Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003609
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article26 compound
IUPAC Name4-{4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol
FormulaC17H12ClN5O
Mass337.763
Exact Mass337.0730377
Composition C (60.45%), H (3.58%), Cl (10.5%), N (20.73%), O (4.74%)
Atom Count36
PI6.96
Smilesc12c(ncnc2n[nH]c1c1ccc(cc1)O)Nc1cc(Cl)ccc1
InChI1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-16-14-15(10-4-6-13(24)7-5-10)22-23-17(14)20-9-19-16/h1-9,24H,
(H2,19,20,21,22,23)
InChIKeyDTGDQRLXHBUCRM-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
Reference9357527
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPKC alpha | v-Abl | CDK1 | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 13796219
ChEMBL Link CHEMBL118130
 
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