Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002389
Inhibitor ClassImidazo-thiazole
Molecule Name in Refrence Article18 compound
IUPAC Name2-cyclopentyl-N-{3-[5-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}acetamide
FormulaC32H33N7O2S
Mass579.715
Exact Mass579.241644
Composition C (66.3%), H (5.74%), N (16.91%), O (5.52%), S (5.53%)
Atom Count75
PI8.38
Smilesc12nc(c(n1ccs2)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1)c1cc(ccc1)NC(=O)CC1CCCC1
InChI1S/C32H33N7O2S/c40-28(20-22-4-1-2-5-22)34-25-7-3-6-23(21-25)29-30(39-16-19-42-32(39)37-29)27-12-13-3
3-31(36-27)35-24-8-10-26(11-9-24)38-14-17-41-18-15-38/h3,6-13,16,19,21-22H,1-2,4-5,14-15,17-18,20H2,
(H,34,40)(H,33,35,36)
InChIKeyOFMCNAPDKXHINQ-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
Reference20346655
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesIGF1R |
Pub Chem Link 46886316
Drug Bank Link -
ChemSpider Link 24676507
ChEMBL Link CHEMBL1090353
 
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