| BioID | bio2935 |
|---|
| Name | SELGANTOLIMOD |
|---|
| ChEMBL ID | CHEMBL4594258 |
|---|
| Molecular Formula | C14H20FN5O |
|---|
| Molecular Weight | 293.35 |
|---|
| Molecular Weight (Monoisotopic) | 293.1652 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | GS-9688|SELGANTOLIMOD |
|---|
| Smiles | CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12 |
|---|
| Inchi | InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1 |
|---|
| Inchi Key | HTCJUBZBSJQWBW-CQSZACIVSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 19.0 |
|---|
| Bioactivities | 62.0 |
|---|
| Np Likeness Score | -0.66 |
|---|
| Records Key | ['SELGANTOLIMOD', 'SELGANTOLIMOD', 'COVC-2834046989', '(R)-7, GS-9688', '28; GS-9688'] |
|---|
| Records Name | ['SELGANTOLIMOD', 'SELGANTOLIMOD', 'SELGANTOLIMOD', 'Selgantolimod; (R)-2-((2-Amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)-amino)-2-methylhexan-1-ol', '(R)-2-((2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino)-2-methylhexan-1-ol'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
