General Property |
Molceule ID (DB) | EGIN0003463 |
Inhibitor Class | Imidazo-pyrazine |
Molecule Name in Refrence Article | 25 compound |
IUPAC Name | 3-[(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 |
Formula | C21H26N8OS |
Mass | 438.549 |
Exact Mass | 438.1950282 |
Composition | C (57.51%), H (5.98%), N (25.55%), O (3.65%), S (7.31%) |
Atom Count | 57 |
PI | 7.34 |
Smiles | [C@@H](c1nsc(Nc2nc(cn3c2ncc3c2cn[nH]c2)C)c1)(N1C[C@@H](O[C@@H](C1)C)C)C |
InChI | 1S/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 |
InChIKey | QBWKPGNFQQJGFY-QLFBSQMISA-N |
2D Structure | ![](./image/EGIN0003463.png) | Structure Backbone | ![](./frame/f_EGIN0003463.png) |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 20855207 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Akt1 | 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 |
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Drug Bank Link | - |
ChemSpider Link | 26363428 |
ChEMBL Link | CHEMBL1270399 |