| BioID | bio3103 |
|---|
| Name | TIPELUKAST |
|---|
| ChEMBL ID | CHEMBL2104988 |
|---|
| Molecular Formula | C29H38O7S |
|---|
| Molecular Weight | 530.68 |
|---|
| Molecular Weight (Monoisotopic) | 530.2338 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | KCA-757|MN-001|TIPELUKAST |
|---|
| Smiles | CCCc1c(SCCCOc2ccc(C(C)=O)c(OCCCC(=O)O)c2CCC)ccc(C(C)=O)c1O |
|---|
| Inchi | InChI=1S/C29H38O7S/c1-5-9-23-25(14-12-22(20(4)31)29(23)36-16-7-11-27(32)33)35-17-8-18-37-26-15-13-21(19(3)30)28(34)24(26)10-6-2/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33) |
|---|
| Inchi Key | KPWYNAGOBXLMSE-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.04 |
|---|
| Records Key | ['TIPELUKAST', 'TIPELUKAST'] |
|---|
| Records Name | ['TIPELUKAST', 'TIPELUKAST'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
