| BioID | bio3029 |
|---|
| Name | RALINEPAG |
|---|
| ChEMBL ID | CHEMBL3301604 |
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| Molecular Formula | C23H26ClNO5 |
|---|
| Molecular Weight | 431.92 |
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| Molecular Weight (Monoisotopic) | 431.15 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | APD-811|APD811|RALINEPAG|Ralinepag |
|---|
| Smiles | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |
|---|
| Inchi | InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18- |
|---|
| Inchi Key | NPDKXVKJRHPDQT-IYARVYRRSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 24.0 |
|---|
| Bioactivities | 114.0 |
|---|
| Np Likeness Score | -0.83 |
|---|
| Records Key | ['RALINEPAG', '22', 'RALINEPAG', '5c', 'COVC-3908947291', '16'] |
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| Records Name | ['RALINEPAG', '2-(((trans)-4-(((4-chlorophenyl)(phenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid', 'RALINEPAG', 'trans-Sodium 2-(((1r,4r)-4-(((4-Chlorophenyl)(phenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)-acetate', 'RALINEPAG', 'Ralinepag'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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