| BioID | bio2743 |
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| Name | RIMEGEPANT |
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| ChEMBL ID | CHEMBL2178422 |
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| Molecular Formula | C28H28F2N6O3 |
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| Molecular Weight | 534.57 |
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| Molecular Weight (Monoisotopic) | 534.2191 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | BHV-3000|BMS-927711|RIMEGEPANT|Rimegepant |
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| Smiles | N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F |
|---|
| Inchi | InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1 |
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| Inchi Key | KRNAOFGYEFKHPB-ANJVHQHFSA-N |
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| Molecular Species | BASE |
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| Targets | 50.0 |
|---|
| Bioactivities | 1080.0 |
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| Np Likeness Score | -0.67 |
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| Records Key | ['RIMEGEPANT', '8, BMS-927711', 'RIMEGEPANT', '24, BMS-927711', 'BMS-927711', 'Rimegepant', 'Rimegepant', 'RIMEGEPANT', 'EUB0000815a', 'EUB0000815a', 'Rimegepant', 'COVC-2298477947', 'EUB0000815a', 'EUB0000815a', 'RIMEGEPANT', 'EUB0000815a'] |
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| Records Name | ['RIMEGEPANT', '(5S,6S,9R)-5-Amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-Oxo-2,3-dihydro-1H-imidazo-[4,5-b]pyridin-1-yl)piperidine-1-carboxylate', 'RIMEGEPANT', '(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate', 'Rimegepant', 'Rimegepant', 'Rimegepant', 'RIMEGEPANT', 'RIMEGEPANT', 'RIMEGEPANT', 'Rimegepant', 'RIMEGEPANT', 'RIMEGEPANT', 'RIMEGEPANT', 'RIMEGEPANT', 'RIMEGEPANT'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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