Bioactive Compound Details
| BioID | bio3477 |
|---|---|
| Name | TOZASERTIB LACTATE |
| ChEMBL ID | CHEMBL2105657 |
| Molecular Formula | C26H34N8O4S |
| Molecular Weight | 554.68 |
| Molecular Weight (Monoisotopic) | 464.2107 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | MK-0457|MK0457|TOZASERTIB LACTATE|VX-680 |
| Smiles | C[C@H](O)C(=O)O.Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 |
| Inchi | InChI=1S/C23H28N8OS.C3H6O3/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16;1-2(4)3(5)6/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29);2,4H,1H3,(H,5,6)/t;2-/m.0/s1 |
| Inchi Key | MHFUWOIXNMZFIW-WNQIDUERSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -2.01 |
| Records Key | ['TOZASERTIB LACTATE'] |
| Records Name | ['TOZASERTIB LACTATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
