Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001752
Inhibitor ClassPurine
Molecule Name in Refrence Article17 compound
IUPAC Name[(2R)-1-{6-[(3-chlorophenyl)amino]-9-ethyl-9H-purin-2-yl}pyrrolidin-2-yl]methanol
FormulaC18H21ClN6O
Mass372.852
Exact Mass372.146537
Composition C (57.98%), H (5.68%), Cl (9.51%), N (22.54%), O (4.29%)
Atom Count47
PI10
Smilesc1(nc2c(c(n1)Nc1cc(Cl)ccc1)ncn2CC)N1[C@@H](CO)CCC1
InChI1S/C18H21ClN6O/c1-2-24-11-20-15-16(21-13-6-3-5-12(19)9-13)22-18(23-17(15)24)25-8-4-7-14(25)10-26/h3,
5-6,9,11,14,26H,2,4,7-8,10H2,1H3,(H,21,22,23)/t14-/m1/s1
InChIKeyINOQUZXUCBEROH-CQSZACIVSA-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
Reference9990463
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPKA | PKC alpha | CDK1 | ALL
Pub Chem Link 44385264
Drug Bank Link -
ChemSpider Link 23240895
ChEMBL Link CHEMBL366734
 
TOP