| General Property |
| Molceule ID (DB) | EGIN0002994 |
| Inhibitor Class | Pyrazole |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | 3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl]-1-(pyridin-2-yl)urea |
| Formula | C17H16N4O2 |
| Mass | 308.3345 |
| Exact Mass | 308.1273258 |
| Composition | C (66.22%), H (5.23%), N (18.17%), O (10.38%) |
| Atom Count | 39 |
| PI | 7.35 |
| Smiles | c12[C@H]3CCCN3C(=O)c1cccc2NC(=O)Nc1ccccn1 |
| InChI | 1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,
13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1 |
| InChIKey | KLVYMYQTRZCMLE-CYBMUJFWSA-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 | 11741480 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CaMKII | ERK1 | MEK1 | p38 alpha | PKB alpha | ZAP | PKA | PKC | Src | cyclinD-Cdk1 | Lck | Flt1 | cyclinD-Cdk4 | PDGFR beta | FGFR1 | cyclinD-Cdk6 | cyclinD-Cdk2 | ALL |
| Pub Chem Link |
445840
|
| Drug Bank Link | DB04186 |
| ChemSpider Link | 393356 |
| ChEMBL Link | CHEMBL141247 |
