Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003463
Inhibitor ClassImidazo-pyrazine
Molecule Name in Refrence Article25 compound
IUPAC Name3-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
FormulaC21H26N8OS
Mass438.549
Exact Mass438.1950282
Composition C (57.51%), H (5.98%), N (25.55%), O (3.65%), S (7.31%)
Atom Count57
PI7.34
Smiles[C@@H](c1nsc(Nc2nc(cn3c2ncc3c2cn[nH]c2)C)c1)(N1C[C@@H](O[C@@H](C1)C)C)C
InChI1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)
30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
InChIKeyQBWKPGNFQQJGFY-QLFBSQMISA-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
Reference20855207
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAkt1 | Camk4 | Cdk2 | CSNK1 | ERK2 | IKKb | Jak2 | c-Met | PKC alpha | PLK3 | Rock2 | TSSK2 | Aurora A | Aurora B | CHK1 | IRAK4 | LCK | RSK2 | VEGFR2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 26363428
ChEMBL Link CHEMBL1270399
 
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