| BioID | bio3245 |
|---|
| Name | TRAXOPRODIL |
|---|
| ChEMBL ID | CHEMBL17350 |
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| Molecular Formula | C20H25NO3 |
|---|
| Molecular Weight | 327.42 |
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| Molecular Weight (Monoisotopic) | 327.1834 |
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| 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) |
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| Synonyms | CP-101,606|CP-101606|TRAXOPRODIL|Traxoprodil |
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| Smiles | C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1 |
|---|
| Inchi | InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1 |
|---|
| Inchi Key | QEMSVZNTSXPFJA-HNAYVOBHSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 24.0 |
|---|
| Bioactivities | 58.0 |
|---|
| Np Likeness Score | 0.26 |
|---|
| Records Key | ['2, (CP-101606)', 'CP-101606', '12, CP-101606', '20 (+)-CP-101606', '(+/-)CP-101606', '1', '1, CP-101606', '(+)-1, CP-101606', '10', '3', '1, (+) CP-101606', '366', 'TRAXOPRODIL', 'CP 101606', 'CP 101606', 'Traxoprodil', 'TRAXOPRODIL', 'COVC-1215198224', 'CP 101606', 'TRAXOPRODIL', 'CP 101606', '3; CP-101606'] |
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| Records Name | ['1-[(S)-2-(S)-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol', '1-[(1S,2S)-2-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol', '1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol', '1-[(1S,2S)-2-Hydroxy-2-(4-hydroxy-cyclohexa-1,5-dienyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol', '1-[(1S,2S)-2-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol', '1-[(1S,2S)-2-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol', '1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol', '1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol', '1-[(1S,2S)-2-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol', '1-[(1S,2S)-2-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol', 'traxoprodil', 'Traxoprodil', 'TRAXOPRODIL', 'CP 101606', 'CP 101606', 'Traxoprodil', 'TRAXOPRODIL', 'TRAXOPRODIL', 'CP 101606', 'TRAXOPRODIL', 'CP 101606', '1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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