| BioID | bio3288 |
|---|
| Name | VICAGREL |
|---|
| ChEMBL ID | CHEMBL2042273 |
|---|
| Molecular Formula | C18H18ClNO4S |
|---|
| Molecular Weight | 379.87 |
|---|
| Molecular Weight (Monoisotopic) | 379.0645 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 1 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | VICAGREL |
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| Smiles | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(C)=O)cc2C1 |
|---|
| Inchi | InChI=1S/C18H18ClNO4S/c1-11(21)24-16-9-12-10-20(8-7-15(12)25-16)17(18(22)23-2)13-5-3-4-6-14(13)19/h3-6,9,17H,7-8,10H2,1-2H3/t17-/m0/s1 |
|---|
| Inchi Key | GNHHCBSBCDGWND-KRWDZBQOSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 15.0 |
|---|
| Np Likeness Score | -0.8 |
|---|
| Records Key | ['9a, vicagrel', 'VICAGREL'] |
|---|
| Records Name | ['(S)-Methyl 2-(2-Acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)acetate', 'VICAGREL'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
