| BioID | bio35895 |
|---|
| Name | TOCERANIB |
|---|
| ChEMBL ID | CHEMBL13608 |
|---|
| Molecular Formula | C22H25FN4O2 |
|---|
| Molecular Weight | 396.47 |
|---|
| Molecular Weight (Monoisotopic) | 396.1962 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar19 |
|---|
| Target Name | Vascular endothelial cell growth inhibitor (TNFSF15) |
|---|
| Synonyms | PALLADIA|PHA-291639|TOCERANIB |
|---|
| Smiles | Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1 |
|---|
| Inchi | InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12- |
|---|
| Inchi Key | SRSGVKWWVXWSJT-ATVHPVEESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -1.27 |
|---|
| Records Key | ['12f', 'TOCERANIB'] |
|---|
| Records Name | ['5-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide', 'TOCERANIB'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
