Bioactive Compound Details
| BioID | bio2835 |
|---|---|
| Name | EMZELTRECTINIB |
| ChEMBL ID | CHEMBL5314458 |
| Molecular Formula | C17H15F3N6O |
| Molecular Weight | 376.34 |
| Molecular Weight (Monoisotopic) | 376.1259 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | EMZELTRECTINIB |
| Smiles | NC(=O)c1c(N)nn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc12 |
| Inchi | InChI=1S/C17H15F3N6O/c18-8-1-2-11(20)10(5-8)12-6-9(19)7-25(12)13-3-4-26-17(23-13)14(16(22)27)15(21)24-26/h1-5,9,12H,6-7H2,(H2,21,24)(H2,22,27)/t9-,12+/m0/s1 |
| Inchi Key | YFTARXQOKASKBW-JOYOIKCWSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.22 |
| Records Key | ['EMZELTRECTINIB'] |
| Records Name | ['EMZELTRECTINIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
