| General Property |
| Molceule ID (DB) | EGIN0002634 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | OLOMOUCINE |
| IUPAC Name | 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethan-1-ol |
| Formula | C15H18N6O |
| Mass | 298.343 |
| Exact Mass | 298.1542092 |
| Composition | C (60.39%), H (6.08%), N (28.17%), O (5.36%) |
| Atom Count | 40 |
| PI | 10.48 |
| Smiles | n1(cnc2c1nc(nc2NCc1ccccc1)NCCO)C |
| InChI | 1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H
3,(H2,16,17,19,20) |
| InChIKey | GTVPOLSIJWJJNY-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 22000924 | 11063609 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK4/Cyc | PKC | PKA | MAP | CDK1/CycB1 | CDK2/CycE | ALL |
| Pub Chem Link |
4592
|
| Drug Bank Link | DB02116--DB04662--DB04776--DB08463 |
| ChemSpider Link | 4431 |
| ChEMBL Link | CHEMBL280074 |
