| BioID | bio3254 |
|---|
| Name | CEBRANOPADOL |
|---|
| ChEMBL ID | CHEMBL2364605 |
|---|
| Molecular Formula | C24H27FN2O |
|---|
| Molecular Weight | 378.49 |
|---|
| Molecular Weight (Monoisotopic) | 378.2107 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CEBRANOPADOL|Cebranopadol|GRT-6005|GRT6005 |
|---|
| Smiles | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12 |
|---|
| Inchi | InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3/t23-,24- |
|---|
| Inchi Key | CSMVOZKEWSOFER-RQNOJGIXSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | -0.05 |
|---|
| Records Key | ['Cebranopadol', 'CEBRANOPADOL', '1', 'CEBRANOPADOL', 'Cebranopadol', 'CEBRANOPADOL', 'CEBRANOPADOL', 'CEBRANOPADOL', 'Cebranopadol'] |
|---|
| Records Name | ['Cebranopadol', 'CEBRANOPADOL', 'Cebranopadol', 'CEBRANOPADOL', 'Cebranopadol', 'CEBRANOPADOL', 'CEBRANOPADOL', 'CEBRANOPADOL', 'Cebranopadol'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
