| BioID | bio3535 |
|---|
| Name | DALMELITINIB |
|---|
| ChEMBL ID | CHEMBL3818247 |
|---|
| Molecular Formula | C22H16FN7O2S |
|---|
| Molecular Weight | 461.48 |
|---|
| Molecular Weight (Monoisotopic) | 461.107 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | DALMELITINIB |
|---|
| Smiles | CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21 |
|---|
| Inchi | InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3 |
|---|
| Inchi Key | MFEXYTURXUZOID-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 62.0 |
|---|
| Bioactivities | 70.0 |
|---|
| Np Likeness Score | -1.8 |
|---|
| Records Key | ['4d', 'DALMELITINIB'] |
|---|
| Records Name | ['9-((8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-4-methyl-2H-[1,4]oxazino[3,2-c]quinolin-3(4H)-one', 'DALMELITINIB'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
