| BioID | bio3307 |
|---|
| Name | ACLIDINIUM |
|---|
| ChEMBL ID | CHEMBL1194325 |
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| Molecular Formula | C26H30NO4S2+ |
|---|
| Molecular Weight | 484.66 |
|---|
| Molecular Weight (Monoisotopic) | 484.1611 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ACLIDINIUM|ACLIDINIUM CATION|ACLIDINIUM ION |
|---|
| Smiles | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 |
|---|
| Inchi | InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 |
|---|
| Inchi Key | ASMXXROZKSBQIH-VITNCHFBSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.04 |
|---|
| Records Key | ['ACLIDINIUM BROMIDE', 'ACLIDINIUM', 'Aclidinium', '4097', 'BDBM50296331', 'ACLIDINIUM BROMIDE', 'AZ195'] |
|---|
| Records Name | ['ACLIDINIUM BROMIDE', 'ACLIDINIUM', 'Aclidinium', None, '(3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide::CHEMBL551466::US9333195, 44', 'ACLIDINIUM BROMIDE', '(R)-8-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
