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 | ![](./image/EGIN0002634.png) | Structure Backbone | ![](./frame/f_EGIN0002634.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 | 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 |