| BioID | bio2453 |
|---|
| Name | ENADOLINE |
|---|
| ChEMBL ID | CHEMBL318859 |
|---|
| Molecular Formula | C24H32N2O3 |
|---|
| Molecular Weight | 396.53 |
|---|
| Molecular Weight (Monoisotopic) | 396.2413 |
|---|
| Type | Small molecule |
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| Max Phase | Unknown |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CI-977|ENADOLINA|ENADOLINE |
|---|
| Smiles | CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 |
|---|
| Inchi | InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1 |
|---|
| Inchi Key | JMBYBVLCYODBJQ-HFMPRLQTSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 27.0 |
|---|
| Np Likeness Score | 0.18 |
|---|
| Records Key | ['5', 'enadoline', 'CI-977', 'Enadoline', 'SID144210744'] |
|---|
| Records Name | ['1-{(5R,7S,8S)-8-[(2-Benzofuran-4-yl-acetyl)-methyl-amino]-1-oxa-spiro[4.5]dec-7-yl}-pyrrolidinium', '2-Benzofuran-4-yl-N-methyl-N-((5R,8S)-7-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-8-yl)-acetamide', '2-Benzofuran-4-yl-N-methyl-N-((5R,7S,8S)-7-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-8-yl)-acetamide', '2-Benzofuran-4-yl-N-methyl-N-((5R,7S,8S)-7-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-8-yl)-acetamide', 'SID144210744'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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