| BioID | bio2581 |
|---|
| Name | FELOPRENTAN |
|---|
| ChEMBL ID | CHEMBL316735 |
|---|
| Molecular Formula | C31H32N2O6 |
|---|
| Molecular Weight | 528.61 |
|---|
| Molecular Weight (Monoisotopic) | 528.226 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | FELOPRENTAN|LU-302872 |
|---|
| Smiles | COc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)O)cc1OC |
|---|
| Inchi | InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1 |
|---|
| Inchi Key | CLSJNXXMIVKULC-MUUNZHRXSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 9.0 |
|---|
| Np Likeness Score | -0.12 |
|---|
| Records Key | ['26', '(S)-11h', 'FELOPRENTAN'] |
|---|
| Records Name | ['(S)-3-(3,4-dimethoxyphenethoxy)-2-(4,6-dimethylpyrimidin-2-yloxy)-3,3-diphenylpropanoic acid', '(S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-propionic acid', 'FELOPRENTAN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
