| BioID | bio2943 |
|---|
| Name | PUMOSETRAG |
|---|
| ChEMBL ID | CHEMBL1643880 |
|---|
| Molecular Formula | C15H17N3O2S |
|---|
| Molecular Weight | 303.39 |
|---|
| Molecular Weight (Monoisotopic) | 303.1041 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | DDP733|PUMOSETRAG |
|---|
| Smiles | O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O |
|---|
| Inchi | InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1 |
|---|
| Inchi Key | AFUWQWYPPZFWCO-LBPRGKRZSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 20.0 |
|---|
| Np Likeness Score | -0.81 |
|---|
| Records Key | ['DDP733', 'pumosetrag', 'pumosetrag', 'PUMOSETRAG', 'PUMOSETRAG', 'COVC-1215723227', 'PUMOSETRAG', 'pumosetrag'] |
|---|
| Records Name | ['(R)-7-oxo-N-(quinuclidin-3-yl)-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide', 'pumosetrag', 'pumosetrag', 'PUMOSETRAG', 'PUMOSETRAG', 'PUMOSETRAG', 'PUMOSETRAG', 'pumosetrag'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
