| BioID | bio3157 |
|---|
| Name | BEFIRADOL |
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| ChEMBL ID | CHEMBL45305 |
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| Molecular Formula | C20H22ClF2N3O |
|---|
| Molecular Weight | 393.87 |
|---|
| Molecular Weight (Monoisotopic) | 393.1419 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BEFIRADOL|Befiradol|F-13640|F13640|NLX-112 |
|---|
| Smiles | Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 |
|---|
| Inchi | InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3 |
|---|
| Inchi Key | PKZXLMVXBZICTF-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 27.0 |
|---|
| Np Likeness Score | -1.8 |
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| Records Key | ['35', 'BEFIRADOL', '1', 'Befiradol', 'F13640; 58'] |
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| Records Name | ['(3-Chloro-4-fluoro-phenyl)-(4-fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-methanone', 'BEFIRADOL', '(3-chloro-4-fluorophenyl)(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone', 'Befiradol', '(3-chloro-4-fluorophenyl)(4-fluoro-4-((((5-methylpyridin-2-yl)methyl)amino)methyl)piperidin-1-yl)methanone'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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