Bioactive Compound Details
| BioID | bio3522 |
|---|---|
| Name | VOLASERTIB TRIHYDROCHLORIDE |
| ChEMBL ID | CHEMBL2105742 |
| Molecular Formula | C34H53Cl3N8O3 |
| Molecular Weight | 728.21 |
| Molecular Weight (Monoisotopic) | 618.4006 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | BI 6727 CL3|BI-6727 CL3|BI-6727-CL3|VOLASERTIB HYDROCHLORIDE|VOLASERTIB TRIHYDROCHLORIDE |
| Smiles | CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C.Cl.Cl.Cl |
| Inchi | InChI=1S/C34H50N8O3.3ClH/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23;;;/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38);3*1H/t25-,26-,28-;;;/m1.../s1 |
| Inchi Key | JFEPFDDQDQBWIL-VCVQLDHKSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.26 |
| Records Key | ['VOLASERTIB TRIHYDROCHLORIDE'] |
| Records Name | ['VOLASERTIB TRIHYDROCHLORIDE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
