| BioID | bio2957 |
|---|
| Name | SIMPINICLINE |
|---|
| ChEMBL ID | CHEMBL4594254 |
|---|
| Molecular Formula | C10H13N3 |
|---|
| Molecular Weight | 175.23 |
|---|
| Molecular Weight (Monoisotopic) | 175.1109 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | OC-02|SIMPINICLINE|TC-6499|TC-6499-12|TC6499 |
|---|
| Smiles | C(=C/[C@H]1CCNC1)\c1cncnc1 |
|---|
| Inchi | InChI=1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2/b2-1+/t9-/m0/s1 |
|---|
| Inchi Key | FNEHSHNEXMPCLJ-VWCDRPFISA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.05 |
|---|
| Records Key | ['SIMPINICLINE', 'SIMPINICLINE'] |
|---|
| Records Name | ['SIMPINICLINE', 'SIMPINICLINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
