| General Property |
| Molceule ID (DB) | EGIN0003974 |
| Inhibitor Class | Pyrazole-urea |
| Molecule Name in Refrence Article | BIRB796 |
| IUPAC Name | 3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea |
| Formula | C31H37N5O3 |
| Mass | 527.6572 |
| Exact Mass | 527.2896401 |
| Composition | C (70.56%), H (7.07%), N (13.27%), O (9.1%) |
| Atom Count | 76 |
| PI | 9.11 |
| Smiles | C(=O)(Nc1c2c(c(cc1)OCCN1CCOCC1)cccc2)Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C |
| InChI | 1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-2
4(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) |
| InChIKey | MVCOAUNKQVWQHZ-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 | 12086485 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | ERK1 | IKK2 beta | p56Lck | p59Fyn | PKA | PKC alpha | PKC beta | PKC gamma | Syk | Zap70 | Jnk2 alpha2 | c-Raf 1 | ALL |
| Pub Chem Link |
156422
|
| Drug Bank Link | - |
| ChemSpider Link | 137746 |
| ChEMBL Link | CHEMBL103667 |
