| BioID | bio3026 |
|---|
| Name | RONACALERET |
|---|
| ChEMBL ID | CHEMBL1198855 |
|---|
| Molecular Formula | C25H31F2NO4 |
|---|
| Molecular Weight | 447.52 |
|---|
| Molecular Weight (Monoisotopic) | 447.2221 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | RONACALERET|Ronacaleret|SB-751689 |
|---|
| Smiles | CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)cc(F)c1F |
|---|
| Inchi | InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1 |
|---|
| Inchi Key | FQJISUPNMFRIFZ-HXUWFJFHSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 9.0 |
|---|
| Np Likeness Score | -0.39 |
|---|
| Records Key | ['RONACALERET', 'Ronacaleret'] |
|---|
| Records Name | ['RONACALERET', 'Ronacaleret'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
