| BioID | bio3006 |
|---|
| Name | CIFORADENANT |
|---|
| ChEMBL ID | CHEMBL4297184 |
|---|
| Molecular Formula | C20H21N7O3 |
|---|
| Molecular Weight | 407.43 |
|---|
| Molecular Weight (Monoisotopic) | 407.1706 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CIFORADENANT|CPI-444|V-81444|V81444 |
|---|
| Smiles | Cc1ccc(-c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)o1 |
|---|
| Inchi | InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1 |
|---|
| Inchi Key | KURQKNMKCGYWRJ-HNNXBMFYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 16.0 |
|---|
| Np Likeness Score | -1.36 |
|---|
| Records Key | ['CIFORADENANT', 'CIFORADENANT', '18; CPI-444', 'CPI-444', 'CPI-444', 'CPI-444', 'CPI-444'] |
|---|
| Records Name | ['CIFORADENANT', 'CIFORADENANT', 'Ciforadenant', 'Ciforadenant', 'Ciforadenant', 'Ciforadenant', '7-(5-methyl-2-furyl)-3-[[6-[[(3S)-tetrahydrofuran-3-yl]oxymethyl]-2-pyridyl]methyl]triazolo[4,5-d]pyrimidin-5-amine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
