| BioID | bio3233 |
|---|
| Name | ASOPRISNIL |
|---|
| ChEMBL ID | CHEMBL267431 |
|---|
| Molecular Formula | C28H35NO4 |
|---|
| Molecular Weight | 449.59 |
|---|
| Molecular Weight (Monoisotopic) | 449.2566 |
|---|
| 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 | ASOPRISNIL|ASOPRISNILO|Asoprisnil|BAY86-5294|J-867|J867 |
|---|
| Smiles | COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C |
|---|
| Inchi | InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1 |
|---|
| Inchi Key | GJMNAFGEUJBOCE-MEQIQULJSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 25.0 |
|---|
| Np Likeness Score | 1.19 |
|---|
| Records Key | ['2', '1, J-867', '5, asoprisnil', 'ASOPRISNIL', '5, J-867', 'ASOPRISNIL'] |
|---|
| Records Name | ['asoprisnil', 'asoprisnil', '4-((8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)benzaldehyde oxime', 'ASOPRISNIL', 'Asoprinsil', 'ASOPRISNIL'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
