| BioID | bio3155 |
|---|
| Name | TUXOBERTINIB |
|---|
| ChEMBL ID | CHEMBL4650279 |
|---|
| Molecular Formula | C29H29ClN6O4 |
|---|
| Molecular Weight | 561.04 |
|---|
| Molecular Weight (Monoisotopic) | 560.1939 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 1 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BDTX-189|BDTX189|TUXOBERTINIB |
|---|
| Smiles | C=CC(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OCCN1CCOCC1 |
|---|
| Inchi | InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34) |
|---|
| Inchi Key | HIBPKFXWOPYJPZ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -1.73 |
|---|
| Records Key | ['TUXOBERTINIB', 'BDTX-189', 'TUXOBERTINIB'] |
|---|
| Records Name | ['TUXOBERTINIB', 'N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-7-(2-morpholinoethoxy)quinazolin-6-yl)acrylamide', 'TUXOBERTINIB'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
