| BioID | bio2993 |
|---|
| Name | CLEMASTINE |
|---|
| ChEMBL ID | CHEMBL1626 |
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| Molecular Formula | C21H26ClNO |
|---|
| Molecular Weight | 343.9 |
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| Molecular Weight (Monoisotopic) | 343.1703 |
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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 | CLEMASTIN|CLEMASTINA|CLEMASTINE|Clemastine|HS-592|NSC-756685 |
|---|
| Smiles | CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |
|---|
| Inchi | InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 |
|---|
| Inchi Key | YNNUSGIPVFPVBX-NHCUHLMSSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 165.0 |
|---|
| Bioactivities | 1006.0 |
|---|
| Np Likeness Score | -0.4 |
|---|
| Records Key | ['SID50110993', '43', 'SID11111002', 'clemastine', 'clemastine', 'SID90340678', 'SID11114089', 'SID152146162', 'CLEMASTINE', 'CLEMASTINE', '1724', 'SID124882478', 'Clemastine', 'CLEMASTINE', 'clemastine', 'Clemastine', 'CLEMASTINE', 'clemastine', 'SID11112618', 'Clemastine', 'Clemastine', '2615', 'clemastine', 'Clemastine', 'CLEMASTINE', 'CLEMASTINE', 'CLEMASTINE FUMARATE', 'clemastine', 'BA1000513'] |
|---|
| Records Name | ['SID50110993', '2-{2-[1-(4-Chloro-phenyl)-1-phenyl-ethoxy]-ethyl}-1-methyl-pyrrolidine', 'SID11111002', 'clemastine', 'clemastine', 'SID90340678', 'SID11114089', 'SID152146162', 'CLEMASTINE', 'Clemastine', None, 'SID124882478', 'Clemastine', 'CLEMASTINE', 'clemastine', 'Clemastine', 'CLEMASTINE', 'clemastine', 'SID11112618', 'Clemastine', 'Clemastine', None, 'clemastine', 'Clemastine', 'CLEMASTINE', 'CLEMASTINE', 'CLEMASTINE FUMARATE', 'clemastine', 'CLEMASTINE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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