| BioID | bio2998 |
|---|
| Name | ASIMADOLINE |
|---|
| ChEMBL ID | CHEMBL1190199 |
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| Molecular Formula | C27H30N2O2 |
|---|
| Molecular Weight | 414.55 |
|---|
| Molecular Weight (Monoisotopic) | 414.2307 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ASIMADOLINA|ASIMADOLINE|EMD-61753 |
|---|
| Smiles | CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 |
|---|
| Inchi | InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1 |
|---|
| Inchi Key | JHLHNYVMZCADTC-LOSJGSFVSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | -0.54 |
|---|
| Records Key | ['ASIMADOLINE', '54 ((SS)-EMD-61753)', 'Asimadoline', '3', 'COVC-3898285694', 'ASIMADOLINE', 'EMD-61753'] |
|---|
| Records Name | ['ASIMADOLINE', 'N-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2,2-diphenyl-acetamide', 'Asimadoline', 'N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2,2-diphenylacetamide', 'ASIMADOLINE', 'ASIMADOLINE', 'Asimadoline'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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