| BioID | bio2018 |
|---|
| Name | BARMASTINE |
|---|
| ChEMBL ID | CHEMBL2105913 |
|---|
| Molecular Formula | C27H29N7O2 |
|---|
| Molecular Weight | 483.58 |
|---|
| Molecular Weight (Monoisotopic) | 483.2383 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BARMASTINA|BARMASTINE|BERMASTINE|R 57959|R-57959 |
|---|
| Smiles | Cc1nc2ccccn2c(=O)c1CCN1CCC(Nc2nc3cccnc3n2Cc2ccco2)CC1 |
|---|
| Inchi | InChI=1S/C27H29N7O2/c1-19-22(26(35)33-13-3-2-8-24(33)29-19)11-16-32-14-9-20(10-15-32)30-27-31-23-7-4-12-28-25(23)34(27)18-21-6-5-17-36-21/h2-8,12-13,17,20H,9-11,14-16,18H2,1H3,(H,30,31) |
|---|
| Inchi Key | LNSHWIZFFHXFPQ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -1.98 |
|---|
| Records Key | ['BARMASTINE', 'COVC-0678072022'] |
|---|
| Records Name | ['BARMASTINE', 'BARMASTINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
