| BioID | bio2142 |
|---|
| Name | ALPHACETYLMETHADOL |
|---|
| ChEMBL ID | CHEMBL2107793 |
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| Molecular Formula | C23H31NO2 |
|---|
| Molecular Weight | 353.51 |
|---|
| Molecular Weight (Monoisotopic) | 353.2355 |
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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) |
|---|
| Synonyms | .ALPHA.-D-ACETYLMETHADOL|ACSCN-9603|ALFACETILMETADOL|ALPHACEMETHADONE|ALPHACETYLMETHADOL|IDS-NA-008 |
|---|
| Smiles | CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |
|---|
| Inchi | InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1 |
|---|
| Inchi Key | XBMIVRRWGCYBTQ-XMSQKQJNSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
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| Np Likeness Score | 0.13 |
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| Records Key | ['(-)-alpha-(3R,6R)-acetyl-methadol', 'ALPHACETYLMETHADOL'] |
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| Records Name | ['Acetic acid 4-dimethylamino-1-ethyl-2,2-diphenyl-pentyl ester', 'ALPHACETYLMETHADOL'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
