Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003197
Inhibitor ClassImidazo-pyridine
Molecule Name in Refrence Article59 compound
IUPAC NameN-cyclopentyl-4-[2-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-1-yl]pyrimidin-2-amine
FormulaC26H29FN8
Mass472.5605
Exact Mass472.2499212
Composition C (66.08%), H (6.19%), F (4.02%), N (23.71%)
Atom Count64
PI11.51
Smilesn1(c(nc2nc(N3CCN(CC3)C)ccc12)c1ccc(cc1)F)c1nc(ncc1)NC1CCCC1
InChI1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-2
8-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
InChIKeyBARFMAOTOPEJFY-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
Reference15177482
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesc-Abl | CDK1 | c-Kit | c-Met | c-Raf | c-Src | IGF1R | Kdr | TNF alpha/hPBMC | p38 alpha | hJNK1 | hJNK2 | ALL
Pub Chem Link 9826083
Drug Bank Link -
ChemSpider Link 8001827
ChEMBL Link CHEMBL120185
 
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