| BioID | bio2650 |
|---|
| Name | ACOLTREMON |
|---|
| ChEMBL ID | CHEMBL2441929 |
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| Molecular Formula | C18H27NO2 |
|---|
| Molecular Weight | 289.42 |
|---|
| Molecular Weight (Monoisotopic) | 289.2042 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ACOLTREMON|AR-15512|AVX-012|FEMA NO. 4681|WS-12 |
|---|
| Smiles | COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 |
|---|
| Inchi | InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1 |
|---|
| Inchi Key | HNSGVPAAXJJOPQ-XOKHGSTOSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | -0.22 |
|---|
| Records Key | ['WS-12', 'ACOLTREMON', '2; WS-12', 'EUB0001985a'] |
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| Records Name | ['(1R,2S,5R)-2-isopropyl-N-(4-methoxyphenyl)-5-methylcyclohexanecarboxamide', 'ACOLTREMON', '(1R,2S,5R)-2-isopropyl-N-(4-methoxyphenyl)-5-methylcyclohexane-1-carboxamide', 'WS-12'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
