Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003598
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article15 compound
IUPAC Name3-({4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl}amino)phenol
FormulaC17H13ClN6O
Mass352.778
Exact Mass352.0839368
Composition C (57.88%), H (3.71%), Cl (10.05%), N (23.82%), O (4.54%)
Atom Count38
PI6.85
Smilesc1(c2c(ncnc2n[nH]1)Nc1cc(Cl)ccc1)Nc1cc(O)ccc1
InChI1S/C17H13ClN6O/c18-10-3-1-4-11(7-10)21-15-14-16(20-9-19-15)23-24-17(14)22-12-5-2-6-13(25)8-12/h1-9,2
5H,(H3,19,20,21,22,23,24)
InChIKeyBUGPWXMPCMTLIX-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 enzymesc-Src | v-Abl | CDK1 | PKC alpha | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485001
ChEMBL Link CHEMBL121954
 
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