| BioID | bio3524 |
|---|
| Name | LABUXTINIB |
|---|
| ChEMBL ID | CHEMBL3962292 |
|---|
| Molecular Formula | C20H16FN5O2 |
|---|
| Molecular Weight | 377.38 |
|---|
| Molecular Weight (Monoisotopic) | 377.1288 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | LABUXTINIB |
|---|
| Smiles | Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc2ccccn12 |
|---|
| Inchi | InChI=1S/C20H16FN5O2/c1-11-5-6-12(18-24-20(28-25-18)13-9-14(13)21)8-15(11)23-19(27)16-10-22-17-4-2-3-7-26(16)17/h2-8,10,13-14H,9H2,1H3,(H,23,27)/t13-,14-/m0/s1 |
|---|
| Inchi Key | RHNJOZCVGSBEAG-KBPBESRZSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -2.15 |
|---|
| Records Key | ['BDBM193999', 'LABUXTINIB'] |
|---|
| Records Name | ['US9199981, F110::US9199981, F91', 'LABUXTINIB'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
