| General Property |
| Molceule ID (DB) | EGIN0002181 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP411 |
| IUPAC Name | 5-[4-amino-1-(azetidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenol |
| Formula | C15H16N6O2 |
| Mass | 312.3265 |
| Exact Mass | 312.1334738 |
| Composition | C (57.68%), H (5.16%), N (26.91%), O (10.25%) |
| Atom Count | 39 |
| PI | 9.26 |
| Smiles | n1cnc2c(c1N)c(nn2C1CNC1)c1cc(c(cc1)OC)O |
| InChI | 1S/C15H16N6O2/c1-23-11-3-2-8(4-10(11)22)13-12-14(16)18-7-19-15(12)21(20-13)9-5-17-6-9/h2-4,7,9,17,22
H,5-6H2,1H3,(H2,16,18,19) |
| InChIKey | LBRPXBJBDBBMNZ-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 | 18849971 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
24905313
|
| Drug Bank Link | - |
| ChemSpider Link | 24605145 |
| ChEMBL Link | CHEMBL1242203 |
