| BioID | bio2792 |
|---|
| Name | TERUTROBAN |
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| ChEMBL ID | CHEMBL2107786 |
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| Molecular Formula | C20H22ClNO4S |
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| Molecular Weight | 407.92 |
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| Molecular Weight (Monoisotopic) | 407.0958 |
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| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | S18886|Terutroban|Triplion |
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| Smiles | Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 |
|---|
| Inchi | InChI=1S/C20H22ClNO4S/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24)/t16-/m1/s1 |
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| Inchi Key | HWEOXFSBSQIWSY-MRXNPFEDSA-N |
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| Molecular Species | ACID |
|---|
| Targets | 30.0 |
|---|
| Bioactivities | 966.0 |
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| Np Likeness Score | -0.74 |
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| Records Key | ['TERUTROBAN', '1, S-18886', 'Terutroban', 'TERUTROBAN', 'TERUTROBAN', 'Terutroban', 'EUB0000754a', 'EUB0000754a', 'EUB0000754a', 'Terutroban', 'EUB0000754a'] |
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| Records Name | ['TERUTROBAN', '(R)-3-(6-(4-chlorophenylsulfonamido)-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid', 'Terutroban', 'TERUTROBAN', 'TERUTROBAN', 'Terutroban', 'TERUTROBAN', 'TERUTROBAN', 'TERUTROBAN', 'Terutroban', 'TERUTROBAN'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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