| BioID | bio3014 |
|---|
| Name | ZIBOTENTAN |
|---|
| ChEMBL ID | CHEMBL1628688 |
|---|
| Molecular Formula | C19H16N6O4S |
|---|
| Molecular Weight | 424.44 |
|---|
| Molecular Weight (Monoisotopic) | 424.0954 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ZD-4054|ZD4054|ZIBOTENTAN|Zibotentan |
|---|
| Smiles | COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1 |
|---|
| Inchi | InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25) |
|---|
| Inchi Key | FJHHZXWJVIEFGJ-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 18.0 |
|---|
| Np Likeness Score | -1.86 |
|---|
| Records Key | ['ZIBOTENTAN', 'ZIBOTENTAN', 'SID137275851', 'Zibotentan (ZD4054)', 'ZIBOTENTAN (ZD4054)', 'SID124950684', '86', 'Zibotentan (ZD4054)', 'Zibotentan (ZD4054)'] |
|---|
| Records Name | ['ZIBOTENTAN', 'ZIBOTENTAN', 'SID137275851', 'Zibotentan (ZD4054)', 'ZIBOTENTAN (ZD4054)', 'SID124950684', 'Zibotentan', 'Zibotentan (ZD4054)', 'Zibotentan (ZD4054)'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
