| BioID | bio2221 |
|---|
| Name | BENZOCLIDINE |
|---|
| ChEMBL ID | CHEMBL121932 |
|---|
| Molecular Formula | C14H17NO2 |
|---|
| Molecular Weight | 231.29 |
|---|
| Molecular Weight (Monoisotopic) | 231.1259 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 3-QUINUCLIDINOL BENZOATE (ESTER)|BENZOCLIDINA|BENZOCLIDINE|Benzoclidine|NSC-760346 |
|---|
| Smiles | O=C(OC1CN2CCC1CC2)c1ccccc1 |
|---|
| Inchi | InChI=1S/C14H17NO2/c16-14(12-4-2-1-3-5-12)17-13-10-15-8-6-11(13)7-9-15/h1-5,11,13H,6-10H2 |
|---|
| Inchi Key | AHKAOMZZTQULDS-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 14.0 |
|---|
| Np Likeness Score | 0.46 |
|---|
| Records Key | ['BENZOCLIDINE', 'SID144205409', 'SID49671383', 'BENZOCLIDINE', '4', 'BENZOCLIDINE', 'BENZOCLIDINE', 'COVC-3899016509', 'BENZOCLIDINE'] |
|---|
| Records Name | ['BENZOCLIDINE', 'SID144205409', 'SID49671383', 'BENZOCLIDINE', 'Benzoic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester', 'BENZOCLIDINE', 'BENZOCLIDINE', 'OXYLIDINE', 'BENZOCLIDINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
