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 | ![](./image/EGIN0002994.png) | Structure Backbone | ![](./frame/f_EGIN0002994.png) |
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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 |