| BioID | bio2857 |
|---|
| Name | VORAPAXAR |
|---|
| ChEMBL ID | CHEMBL493982 |
|---|
| Molecular Formula | C29H33FN2O4 |
|---|
| Molecular Weight | 492.59 |
|---|
| Molecular Weight (Monoisotopic) | 492.2424 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | SCH-530348|VORAPAXAR |
|---|
| Smiles | CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 |
|---|
| Inchi | InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1 |
|---|
| Inchi Key | ZBGXUVOIWDMMJE-QHNZEKIYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 93.0 |
|---|
| Bioactivities | 256.0 |
|---|
| Np Likeness Score | -0.08 |
|---|
| Records Key | ['4, SCH-530348', '4, SCH-530348', 'VORAPAXAR', 'SCH530348', 'VORAPAXAR', 'SCH 530348, Vorapaxar', 'VORAPAXAR', 'Vorapaxar', 'VORAPAXAR', 'vorapaxar', 'MMV1593515', 'SCH 530348', 'SCH530348', 'vorapaxar', 'VORAPAXAR', 'VORAPAXAR', '1', 'vorapaxar', 'vorapaxar', 'EUB0000816a', 'EUB0000816a', 'vorapaxar', 'EUB0000816a', 'EUB0000816a'] |
|---|
| Records Name | ['vorapaxar', 'Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1(R)-methyl-3-oxonaphtho[2,3-c]furan-6(R)-yl]carbamate', 'VORAPAXAR', 'Vorapaxar', 'VORAPAXAR', '[ethyl[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]carbamate]', 'VORAPAXAR', 'Vorapaxar', 'VORAPAXAR', 'vorapaxar', 'C0088673', 'Vorapaxar', 'Vorapaxar', 'vorapaxar', 'VORAPAXAR', 'VORAPAXAR', 'Vorapaxar', 'vorapaxar', 'vorapaxar', 'VORAPAXAR', 'VORAPAXAR', 'vorapaxar', 'VORAPAXAR', 'VORAPAXAR'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
