| BioID | bio2640 |
|---|
| Name | NANTRADOL HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL2106792 |
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| Molecular Formula | C27H36ClNO4 |
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| Molecular Weight | 474.04 |
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| Molecular Weight (Monoisotopic) | 437.2566 |
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| Type | Small molecule |
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| Max Phase | Unknown |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | CP-44,001-1|CP-44001-1|CP-440011|NANTRADOL HCL|NANTRADOL HYDROCHLORIDE |
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| Smiles | CC(=O)Oc1cc(OC(C)CCCc2ccccc2)cc2c1[C@@H]1C[C@H](O)CC[C@H]1[C@H](C)N2.Cl |
|---|
| Inchi | InChI=1S/C27H35NO4.ClH/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25;/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3;1H/t17?,18-,21+,23-,24+;/m0./s1 |
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| Inchi Key | NSOGAHPJIFTUHV-DVTLTWPTSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 1.0 |
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| Bioactivities | 2.0 |
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| Np Likeness Score | 0.96 |
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| Records Key | ['NANTRADOL HYDROCHLORIDE', 'COVC-0677959271'] |
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| Records Name | ['NANTRADOL HYDROCHLORIDE', 'NANTRADOL HYDROCHLORIDE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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