| BioID | bio2843 |
|---|
| Name | TAPENTADOL |
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| ChEMBL ID | CHEMBL1201776 |
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| Molecular Formula | C14H23NO |
|---|
| Molecular Weight | 221.34 |
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| Molecular Weight (Monoisotopic) | 221.178 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | BN 200 (BASE)|BN-200|CG-5503|CG5503|CG5503 (BASE)|CG5503 IR|NSC-759619|TAPENTADOL |
|---|
| Smiles | CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C |
|---|
| Inchi | InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1 |
|---|
| Inchi Key | KWTWDQCKEHXFFR-SMDDNHRTSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 28.0 |
|---|
| Np Likeness Score | -0.02 |
|---|
| Records Key | ['Tapentadol', 'TAPENTADOL', 'Tapentadol HCl', 'TAPENTADOL', 'Tapentadol', 'TAPENTADOL', 'Tapentadol (hydrochloride)', 'COVC-0139999434'] |
|---|
| Records Name | ['Tapentadol', 'TAPENTADOL', 'Tapentadol', 'TAPENTADOL', 'Tapentadol', 'TAPENTADOL', 'Tapentadol (hydrochloride)', 'TAPENTADOL'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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