Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004366
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article(R)-ROSCOVITINE
IUPAC Name(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol
FormulaC19H26N6O
Mass354.4493
Exact Mass354.2168095
Composition C (64.38%), H (7.39%), N (23.71%), O (4.51%)
Atom Count52
PI10.19
Smilesn1c(NCc2ccccc2)c2ncn(c2nc1N[C@H](CC)CO)C(C)C
InChI1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-
13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
InChIKeyBTIHMVBBUGXLCJ-OAHLLOKOSA-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
Reference22000924
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesCDK4/D | CDK2/A | ALL
Pub Chem Link 160355
Drug Bank Link -
ChemSpider Link 140922
ChEMBL Link CHEMBL14762
 
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