General Property |
Molceule ID (DB) | EGIN0001490 |
Inhibitor Class | Purine |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | 2-(6-amino-9H-purin-9-yl)-1-(pyridin-3-yl)ethan-1-one |
Formula | C12H10N6O |
Mass | 254.2474 |
Exact Mass | 254.091609 |
Composition | C (56.69%), H (3.96%), N (33.05%), O (6.29%) |
Atom Count | 29 |
PI | 9.71 |
Smiles | c12c(ncnc1N)n(cn2)CC(=O)c1cccnc1 |
InChI | 1S/C12H10N6O/c13-11-10-12(16-6-15-11)18(7-17-10)5-9(19)8-2-1-3-14-4-8/h1-4,6-7H,5H2,(H2,13,15,16) |
InChIKey | REGWEYNSZPBUMQ-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 18524423 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VERFR2 | SRC | ALL |
Pub Chem Link |
42603881
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Drug Bank Link | - |
ChemSpider Link | 24710803 |
ChEMBL Link | CHEMBL501256 |