Bioactive Compound Details
| BioID | bio3514 |
|---|---|
| Name | ALISERTIB SODIUM |
| ChEMBL ID | CHEMBL2103871 |
| Molecular Formula | C27H21ClFN4NaO5 |
| Molecular Weight | 558.93 |
| Molecular Weight (Monoisotopic) | 518.1157 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | ALISERTIB SODIUM|MLN-8237-004|MLN8237-004 |
| Smiles | COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)[O-].O.[Na+] |
| Inchi | InChI=1S/C27H20ClFN4O4.Na.H2O/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2;;/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33);;1H2/q;+1;/p-1 |
| Inchi Key | WLPXWQKMVACWII-UHFFFAOYSA-M |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.76 |
| Records Key | ['ALISERTIB SODIUM'] |
| Records Name | ['ALISERTIB SODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
