| BioID | bio2840 |
|---|
| Name | TRAMADOL |
|---|
| ChEMBL ID | CHEMBL1237044 |
|---|
| Molecular Formula | C16H25NO2 |
|---|
| Molecular Weight | 263.38 |
|---|
| Molecular Weight (Monoisotopic) | 263.1885 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AMANDA|CG-315E|E-265|ETS-6103|ETS6103|TRAMADOL|Tramadol|U-26255A|Ultracet|Ultram |
|---|
| Smiles | COc1cccc(C2(O)CCCCC2CN(C)C)c1 |
|---|
| Inchi | InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 |
|---|
| Inchi Key | TVYLLZQTGLZFBW-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 152.0 |
|---|
| Bioactivities | 891.0 |
|---|
| Np Likeness Score | 0.43 |
|---|
| Records Key | ['Tramadol', '26', 'Tramadol', 'TRAMADOL', '365', '228, tramadol', '128, tramadol', '1, tramadol', 'Tramadol', 'Tramadol', '19c, tramadol', 'tramadol', 'tramadol', '1, (+/-)-tramandol', 'tramadol', 'Tramadol', 'Tramadol', 'Tramadol', 'Tramadol', 'Tramadol', 'tramadol', 'Tramadol', '89', 'Tramadol', 'Tramadol', 'Tramadol', 'TRAMADOL', 'Tramadol', 'tramadol', 'TRAMADOL', 'Tramadol', 'TRAMADOL', 'Tramadol', 'TRAMADOL', 'tramadol'] |
|---|
| Records Name | ['rel-Tramadol', '2-Dimethylaminomethyl-1-(3-methoxy-phenyl)-cyclohexanol', 'Tramadol', 'Tramadol', 'Tramadol', '(1R,2R)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol', '(1R,2R)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol', '(1R,2R)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol', '1-[3-((1R,2R)-2-Dimethylaminomethyl-1-hydroxy-cyclohexyl)-phenyl]-ethanone', 'Tramadol', 'rel-(1R,2R)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol', '(1R,2R)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol', 'tramadol', '(+/-)-cis-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol', 'tramadol', 'Tramadol', 'Tramadol', 'Tramadol', 'Tramadol', 'Tramadol', 'tramadol', 'rel-Tramadol', 'Tramadol', 'Tramadol', 'Tramadol', 'Tramadol', 'TRAMADOL', '(1R,2R)-2-Dimethylaminomethyl-1-(3-methoxy-phenyl)-cyclohexanol', 'rel-tramadol', 'TRAMADOL', 'rel-Tramadol', 'TRAMADOL', 'Tramadol', 'TRAMADOL', 'tramadol'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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