| BioID | bio1992 |
|---|
| Name | ABEQUOLIXRON |
|---|
| ChEMBL ID | CHEMBL573677 |
|---|
| Molecular Formula | C34H33ClF3NO3 |
|---|
| Molecular Weight | 596.09 |
|---|
| Molecular Weight (Monoisotopic) | 595.2101 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 1 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ABEQUOLIXRON|RGX-104|SB-742881 |
|---|
| Smiles | C[C@H](CCOc1cccc(CC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 |
|---|
| Inchi | InChI=1S/C34H33ClF3NO3/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41)/t24-/m1/s1 |
|---|
| Inchi Key | ZLJZDYOBXVOTSA-XMMPIXPASA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 20.0 |
|---|
| Np Likeness Score | -0.73 |
|---|
| Records Key | ['14b, SB-742881', 'ABEQUOLIXRON', 'ABEQUOLIXRON'] |
|---|
| Records Name | ['(R)-2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic acid', 'ABEQUOLIXRON', 'ABEQUOLIXRON'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
