| BioID | bio3368 |
|---|
| Name | PEXMETINIB |
|---|
| ChEMBL ID | CHEMBL3991932 |
|---|
| Molecular Formula | C31H33FN6O3 |
|---|
| Molecular Weight | 556.64 |
|---|
| Molecular Weight (Monoisotopic) | 556.2598 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | ARRY-614|PEXMETINIB|Pexmetinib |
|---|
| Smiles | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1 |
|---|
| Inchi | InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40) |
|---|
| Inchi Key | LNMRSSIMGCDUTP-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 300.0 |
|---|
| Bioactivities | 311.0 |
|---|
| Np Likeness Score | -2.02 |
|---|
| Records Key | ['Pexmetinib', 'pexmetinib', 'Pexmetinib (ARRY-614)', 'pexmetinib', 'PEXMETINIB', 'PEXMETINIB (ARRY-614)', 'Pexmetinib (ARRY-614)', 'Pexmetinib (ARRY-614)', 'EOS100996', 'ARRY-614'] |
|---|
| Records Name | ['Pexmetinib', 'pexmetinib', 'Pexmetinib (ARRY-614)', 'pexmetinib', 'PEXMETINIB', 'PEXMETINIB (ARRY-614)', 'Pexmetinib (ARRY-614)', 'Pexmetinib (ARRY-614)', 'pexmetinib', 'Pexmetinib'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
