| BioID | bio2633 |
|---|
| Name | AVOSENTAN |
|---|
| ChEMBL ID | CHEMBL3989834 |
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| Molecular Formula | C23H21N5O5S |
|---|
| Molecular Weight | 479.52 |
|---|
| Molecular Weight (Monoisotopic) | 479.1263 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AVOSENTAN|Avosentan|RO 67-0565|RO-67-0565|RO670565|SPP-301|SPP301 |
|---|
| Smiles | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC |
|---|
| Inchi | InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28) |
|---|
| Inchi Key | YBWLTKFZAOSWSM-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | -1.15 |
|---|
| Records Key | ['AVOSENTAN', 'Avosentan', 'AVOSENTAN', '25; Avosentan', 'AVOSENTAN', 'Avosentan', 'Avosentan', 'COVC-2298477624'] |
|---|
| Records Name | ['AVOSENTAN', 'Avosentan', 'AVOSENTAN', 'N-(6-methoxy-5-(2-methoxyphenoxy)-2-(pyridin-4-yl)pyrimidin-4-yl)-5-methylpyridine-2-sulfonamide', 'AVOSENTAN', 'Avosentan', 'Avosentan', 'AVOSENTAN'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
