| General Property |
| Molceule ID (DB) | EGIN0001004 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 38 compound |
| IUPAC Name | 3-({5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-yl}amino)phenol |
| Formula | C16H16N4O |
| Mass | 280.3244 |
| Exact Mass | 280.1324112 |
| Composition | C (68.55%), H (5.75%), N (19.99%), O (5.71%) |
| Atom Count | 37 |
| PI | 7.89 |
| Smiles | n1cnc2c(c1Nc1cc(ccc1)O)c1c([nH]2)CCCC1 |
| InChI | 1S/C16H16N4O/c21-11-5-3-4-10(8-11)19-15-14-12-6-1-2-7-13(12)20-16(14)18-9-17-15/h3-5,8-9,21H,1-2,6-7
H2,(H2,17,18,19,20) |
| InChIKey | URHWRBQIYOUYPM-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 | 8691423 |
| 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 |
10564707
|
| Drug Bank Link | - |
| ChemSpider Link | 8740095 |
| ChEMBL Link | CHEMBL72322 |
