Bioactive Compound Details
| BioID | bio3226 |
|---|---|
| Name | BODITRECTINIB |
| ChEMBL ID | CHEMBL5314454 |
| Molecular Formula | C23H24F2N6O |
| Molecular Weight | 438.48 |
| Molecular Weight (Monoisotopic) | 438.198 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | AUM-601|AUM601|BODITRECTINIB|CHC-2014|CHC2014|HL-5101|HL5101|NOV-1601|NOV1601 |
| Smiles | O=C(/C=C/c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CCNCC1 |
| Inchi | InChI=1S/C23H24F2N6O/c24-17-4-5-19(25)18(14-17)20-2-1-10-30(20)21-7-11-31-23(28-21)16(15-27-31)3-6-22(32)29-12-8-26-9-13-29/h3-7,11,14-15,20,26H,1-2,8-10,12-13H2/b6-3+/t20-/m1/s1 |
| Inchi Key | BQFYCHBYISNPFW-SQZHUTIHSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.27 |
| Records Key | ['BODITRECTINIB'] |
| Records Name | ['BODITRECTINIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
