| BioID | bio2585 |
|---|
| Name | GAVESTINEL |
|---|
| ChEMBL ID | CHEMBL44793 |
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| Molecular Formula | C18H12Cl2N2O3 |
|---|
| Molecular Weight | 375.21 |
|---|
| Molecular Weight (Monoisotopic) | 374.0225 |
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| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | GAVESTINEL|GV 150526X|GV-150526X|Gavestinel |
|---|
| Smiles | O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1 |
|---|
| Inchi | InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/b7-6+ |
|---|
| Inchi Key | WZBNEZWCNKUOSM-VOTSOKGWSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 14.0 |
|---|
| Bioactivities | 32.0 |
|---|
| Np Likeness Score | -0.88 |
|---|
| Records Key | ['GV-150526', 'gavestinel', '1h', '1 (GV150526)', '70', 'Gavestinel', 'Pro family, cpd16', '2, GV150526A, gavestinel', '1', 'GAVESTINEL', 'table 1 (column 1)', 'COVC-1749652135', 'Gavestinel', '1809', 'gavestinel'] |
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| Records Name | ['4,6-Dichloro-3-((E)-2-phenylcarbamoyl-vinyl)-1H-indole-2-carboxylic acid', 'gavestinel', '4,6-Dichloro-3-((E)-2-phenylcarbamoyl-vinyl)-1H-indole-2-carboxylic acid', '4,6-Dichloro-3-((E)-2-phenylcarbamoyl-vinyl)-1H-indole-2-carboxylic acid', '4,6-Dichloro-3-((E)-2-phenylcarbamoyl-vinyl)-1H-indole-2-carboxylic acid', 'Gavestinel', '4,6-Dichloro-3-[(1E)-3-oxo-3-(phenylamino)-1-propenyl]-1H-indole-2-carboxylic acid', '3-[(E)-3-(anilino)-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylic acid', '4,6-Dichloro-3-((E)-2-phenylcarbamoyl-vinyl)-1H-indole-2-carboxylic acid', 'GAVESTINEL', '4,6-Dichloro-3-((E)-2-phenylcarbamoyl-vinyl)-1H-indole-2-carboxylic acid', 'GAVESTINEL', 'Gavestinel', None, 'gavestinel'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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