| BioID | bio2306 |
|---|
| Name | (2S)-CYCLOBUTYL 2-((((2R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-FLUORO-2,5-DIHYDROFURAN-2-YLOXY)METHYL)(PHENOXY)PHOSPHORYLAMINO)PROPANOATE (ENANTIOMERIC MIX) |
|---|
| ChEMBL ID | CHEMBL1094397 |
|---|
| Molecular Formula | C23H26FN6O6P |
|---|
| Molecular Weight | 532.47 |
|---|
| Molecular Weight (Monoisotopic) | 532.1635 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
|---|
| Smiles | C[C@H](NP(=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c(N)ncnc32)O1)Oc1ccccc1)C(=O)OC1CCC1 |
|---|
| Inchi | InChI=1S/C23H26FN6O6P/c1-14(23(31)34-15-8-5-9-15)29-37(32,36-16-6-3-2-4-7-16)13-33-18-10-17(24)22(35-18)30-12-28-19-20(25)26-11-27-21(19)30/h2-4,6-7,10-12,14-15,18,22H,5,8-9,13H2,1H3,(H,29,32)(H2,25,26,27)/t14-,18-,22+,37?/m0/s1 |
|---|
| Inchi Key | KASPLZVOWOFVTP-PXYYDGKASA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 22.0 |
|---|
| Np Likeness Score | 0.02 |
|---|
| Records Key | ['18r', '18r(A), 1st elutent'] |
|---|
| Records Name | ['(2S)-cyclobutyl 2-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yloxy)methyl)(phenoxy)phosphorylamino)propanoate', '(2S)-cyclobutyl 2-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yloxy)methyl)(phenoxy)phosphorylamino)propanoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
