| BioID | bio1980 |
|---|
| Name | EMEDASTINE |
|---|
| ChEMBL ID | CHEMBL594 |
|---|
| Molecular Formula | C17H26N4O |
|---|
| Molecular Weight | 302.42 |
|---|
| Molecular Weight (Monoisotopic) | 302.2107 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | EMEDASTINA|EMEDASTINE|Emadine|Emedastine |
|---|
| Smiles | CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21 |
|---|
| Inchi | InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3 |
|---|
| Inchi Key | KBUZBQVCBVDWKX-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 23.0 |
|---|
| Np Likeness Score | -1.93 |
|---|
| Records Key | ['69', 'SID50125935', 'emedastine', 'EMEDASTINE', 'EMEDASTINE', 'emedastine', 'COVC-0677734737', 'BA1001068'] |
|---|
| Records Name | ['1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole', 'SID50125935', 'emedastine', 'EMEDASTINE', 'EMEDASTINE', 'emedastine', 'EMEDASTINE', 'EMEDASTINE'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
