| BioID | bio2716 |
|---|
| Name | UMECLIDINIUM |
|---|
| ChEMBL ID | CHEMBL1187833 |
|---|
| Molecular Formula | C29H34NO2+ |
|---|
| Molecular Weight | 428.6 |
|---|
| Molecular Weight (Monoisotopic) | 428.2584 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | GSK-573719|GSK573719|UMECLIDINIUM|UMECLIDINIUM CATION|UMECLIDINIUM ION |
|---|
| Smiles | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 |
|---|
| Inchi | InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1 |
|---|
| Inchi Key | FVTWTVQXNAJTQP-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 26.0 |
|---|
| Bioactivities | 31.0 |
|---|
| Np Likeness Score | -0.04 |
|---|
| Records Key | ['UMECLIDINIUM', 'UMECLIDINIUM', 'Umeclidinium (bromide)', 'umeclidinium'] |
|---|
| Records Name | ['UMECLIDINIUM', 'UMECLIDINIUM', 'Umeclidinium (bromide)', 'umeclidinium'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
