General Property |
Molceule ID (DB) | EGIN0001485 |
Inhibitor Class | Purine |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | 2-(6-amino-9H-purin-9-yl)-1-(1H-indol-3-yl)ethan-1-one |
Formula | C15H12N6O |
Mass | 292.2954 |
Exact Mass | 292.107259 |
Composition | C (61.64%), H (4.14%), N (28.75%), O (5.47%) |
Atom Count | 34 |
PI | 9.1 |
Smiles | c12c(ncnc1N)n(cn2)CC(=O)c1c2c([nH]c1)cccc2 |
InChI | 1S/C15H12N6O/c16-14-13-15(19-7-18-14)21(8-20-13)6-12(22)10-5-17-11-4-2-1-3-9(10)11/h1-5,7-8,17H,6H2,
(H2,16,18,19) |
InChIKey | FJJRVJOTLKWVLC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001485.png) | Structure Backbone | ![](./frame/f_EGIN0001485.png) |
|
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 | Aurora B | VEGFR2 | B-RAF-VE | TIE2 | ALL |
Pub Chem Link |
42603880
|
Drug Bank Link | - |
ChemSpider Link | 24718779 |
ChEMBL Link | CHEMBL521155 |