Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001768
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article7g (Racemate)
IUPAC Name3-{4-amino-7-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenol
FormulaC22H22N4O3
Mass390.4351
Exact Mass390.1691906
Composition C (67.68%), H (5.68%), N (14.35%), O (12.29%)
Atom Count51
PI8.49
Smilesc12n(cc(c1c(ncn2)N)c1cc(O)ccc1)[C@@H](Cc1ccc(cc1)OC)CO
InChI1S/C22H22N4O3/c1-29-18-7-5-14(6-8-18)9-16(12-27)26-11-19(15-3-2-4-17(28)10-15)20-21(23)24-13-25-22(2
0)26/h2-8,10-11,13,16,27-28H,9,12H2,1H3,(H2,23,24,25)/t16-/m0/s1
InChIKeyRLICCWOKSVSSOF-INIZCTEOSA-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
Reference11277535
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesv-Abl | EGFR | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 8605912
ChEMBL Link CHEMBL169467
 
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