| BioID | bio2014 |
|---|
| Name | PAMICOGREL |
|---|
| ChEMBL ID | CHEMBL2104947 |
|---|
| Molecular Formula | C25H24N2O4S |
|---|
| Molecular Weight | 448.54 |
|---|
| Molecular Weight (Monoisotopic) | 448.1457 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | PAMICOGREL |
|---|
| Smiles | CCOC(=O)Cn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 |
|---|
| Inchi | InChI=1S/C25H24N2O4S/c1-4-31-22(28)16-27-15-5-6-21(27)25-26-23(17-7-11-19(29-2)12-8-17)24(32-25)18-9-13-20(30-3)14-10-18/h5-15H,4,16H2,1-3H3 |
|---|
| Inchi Key | ISCHOARKJADAKJ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | -1.07 |
|---|
| Records Key | ['PAMICOGREL', 'SID144206832'] |
|---|
| Records Name | ['PAMICOGREL', 'SID144206832'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
