| BioID | bio2546 |
|---|
| Name | SULUKAST |
|---|
| ChEMBL ID | CHEMBL278570 |
|---|
| Molecular Formula | C25H36N4O3S |
|---|
| Molecular Weight | 472.66 |
|---|
| Molecular Weight (Monoisotopic) | 472.2508 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LY-170680|LY170680|SULUKAST |
|---|
| Smiles | CCCCCCCCC/C=C\C=C\[C@@H](SCCC(=O)O)[C@@H](O)c1cccc(-c2nnn[nH]2)c1 |
|---|
| Inchi | InChI=1S/C25H36N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(33-18-17-23(30)31)24(32)20-14-13-15-21(19-20)25-26-28-29-27-25/h10-16,19,22,24,32H,2-9,17-18H2,1H3,(H,30,31)(H,26,27,28,29)/b11-10-,16-12+/t22-,24+/m1/s1 |
|---|
| Inchi Key | YPHOSUPSOWQQCB-AFOLHBCXSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | 0.13 |
|---|
| Records Key | ['16 LY-170680', '31 (LY-170680)', 'SULUKAST'] |
|---|
| Records Name | ['3-(1-{Hydroxy-[3-(1H-tetrazol-5-yl)-phenyl]-methyl}-tetradeca-2,4-dienylsulfanyl)-propionic acid', '3-((2E,4Z)-(R)-1-{(S)-Hydroxy-[4-(1H-tetrazol-5-yl)-phenyl]-methyl}-tetradeca-2,4-dienylsulfanyl)-propionic acid', 'SULUKAST'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
