| BioID | bio2817 |
|---|
| Name | EBROTIDINE |
|---|
| ChEMBL ID | CHEMBL1742471 |
|---|
| Molecular Formula | C14H17BrN6O2S3 |
|---|
| Molecular Weight | 477.44 |
|---|
| Molecular Weight (Monoisotopic) | 475.9758 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | EBROTIDINA|EBROTIDINE |
|---|
| Smiles | NC(N)=Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1 |
|---|
| Inchi | InChI=1S/C14H17BrN6O2S3/c15-10-1-3-12(4-2-10)26(22,23)19-9-18-5-6-24-7-11-8-25-14(20-11)21-13(16)17/h1-4,8-9H,5-7H2,(H,18,19)(H4,16,17,20,21) |
|---|
| Inchi Key | ZQHFZHPUZXNPMF-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 30.0 |
|---|
| Np Likeness Score | -1.73 |
|---|
| Records Key | ['ebrotidine', 'ebrotidine', 'EBROTIDINE', 'EBROTIDINE', 'Ebrotidine', 'EBROTIDINE', 'EBROTIDINE', 'Ebrotidine', 'Ebrotidine', 'Ebrotidine', 'Ebrotidine'] |
|---|
| Records Name | ['ebrotidine', 'ebrotidine', 'EBROTIDINE', 'EBROTIDINE', 'Ebrotidine', 'EBROTIDINE', 'EBROTIDINE', 'Ebrotidine', 'Ebrotidine', 'Ebrotidine', 'Ebrotidine'] |
|---|
| Withdrawn Flag | True |
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| Orphan | 0 |
|---|
