| BioID | bio2388 |
|---|
| Name | IMITRODAST |
|---|
| ChEMBL ID | CHEMBL22542 |
|---|
| Molecular Formula | C13H12N2O2S |
|---|
| Molecular Weight | 260.32 |
|---|
| Molecular Weight (Monoisotopic) | 260.0619 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | IMITRODAST|Imitrodast |
|---|
| Smiles | O=C(O)C1=Cc2sc(Cn3ccnc3)cc2CC1 |
|---|
| Inchi | InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17) |
|---|
| Inchi Key | KRBSZXUPPSXPAN-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | -0.64 |
|---|
| Records Key | ['26', 'IMITRODAST'] |
|---|
| Records Name | ['2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophene-6-carboxylic acid', 'IMITRODAST'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
