| BioID | bio3283 |
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| Name | CLEMASTINE FUMARATE |
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| ChEMBL ID | CHEMBL1200795 |
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| Molecular Formula | C25H30ClNO5 |
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| Molecular Weight | 459.97 |
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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 | CLEMASTINE FUMARATE|CLEMASTINE HYDROGEN FUMARATE|TAVEGIL|TAVIST|TAVIST-1 |
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| Smiles | CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O |
|---|
| Inchi | InChI=1S/C21H26ClNO.C4H4O4/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;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1 |
|---|
| Inchi Key | PMGQWSIVQFOFOQ-YKVZVUFRSA-N |
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| Molecular Species | BASE |
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| Targets | 46.0 |
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| Bioactivities | 1183.0 |
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| Np Likeness Score | -0.4 |
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| Records Key | ['SID144204125', 'SID93576607', 'NCGC00093719-01', 'Clemastine Fumarate', 'Clemastine Fumarate', 'CLEMASTINE FUMARATE', 'SID170465318', 'CLEMASTINE FUMARATE', '92125238', 'Clemastine fumarate', 'CLEMASTINE FUMARATE', 'CLEMASTINE FUMARATE', 'Clemastine fumarate', 'CLEMASTINE FUMARATE', 'CLEMASTINE FUMARATE', 'CLEMASTINE FUMARATE', 'EUB0000532aBDA', 'EUB0000532aBDA', 'Clemastine fumarate', 'EOS101014', '60', 'EUB0000532aBDA'] |
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| Records Name | ['SID144204125', 'SID93576607', 'Clemastine fumarate', 'Clemastine Fumarate', 'Clemastine Fumarate', 'CLEMASTINE FUMARATE', 'SID170465318', 'CLEMASTINE FUMARATE', 'Clemastine fumarate', 'Clemastine fumarate', 'CLEMASTINE FUMARATE', 'CLEMASTINE FUMARATE', 'Clemastine fumarate', 'CLEMASTINE FUMARATE', 'CLEMASTINE FUMARATE', 'CLEMASTINE FUMARATE', 'CLEMASTINE', 'CLEMASTINE', 'Clemastine fumarate', 'CLEMASTINE FUMARATE', 'Clemastine fumarate', 'CLEMASTINE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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