| BioID | bio3032 |
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| Name | VOLINANSERIN |
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| ChEMBL ID | CHEMBL74355 |
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| Molecular Formula | C22H28FNO3 |
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| Molecular Weight | 373.47 |
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| Molecular Weight (Monoisotopic) | 373.2053 |
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| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | M-100907|M100907|MDL-100.907|MDL-100907|MDL100.907|VOLINANSERIN|VOLINANSERINA|VOLINANSERINE|Volinanserin |
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| Smiles | COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |
|---|
| Inchi | InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 |
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| Inchi Key | HXTGXYRHXAGCFP-OAQYLSRUSA-N |
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| Molecular Species | BASE |
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| Targets | 79.0 |
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| Bioactivities | 179.0 |
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| Np Likeness Score | -0.73 |
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| Records Key | ['MDL-100907', 'MDL-100907', 'SI-S11, 2, MDL-100907', 'MDL-100907', '28, MDL-100907', 'MDL-100907', '(R)-MDL-100907', 'MDL-100907', 'MDL-100907', '4784', 'volinanserin', 'MDL-100907', 'VOLINANSERIN', '11, M 100907', 'M100907', '30, (R)-MDL-100907', '(+)-M100907', 'SID144210564', 'volinanserin', 'VOLINANSERIN', 'volinanserin', 'COVC-3361865200', 'EUB0000421a', 'MDL100907; 83', 'MDL 100,907', 'EUB0000421a', 'EUB0000421a', 'EUB0000421a', 'EUB0000421a'] |
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| Records Name | ['(R)-(2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol', '(2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol (MDL-100907)', '(R)-(2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol', '(R)-(2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol', '(2,3-Dimethoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol', '(S)-(1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethoxyphenyl)methanol', '(R)-(1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethoxyphenyl)methanol', '(1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethoxyphenyl)methanol', '(R)-(2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol', None, 'volinanserin', '(2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol', 'VOLINANSERIN', '(2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol (M 100907)', '4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl]-piperidine', '(R)-(2,3-Dimethoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol', '(+)-(R)-(2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol', 'SID144210564', 'volinanserin', 'VOLINANSERIN', 'volinanserin', 'VOLINANSERIN', 'VOLINANSERIN', '(R)-(2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol', '(R)-(2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol', 'VOLINANSERIN', 'VOLINANSERIN', 'VOLINANSERIN', 'VOLINANSERIN'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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