| BioID | bio2043 |
|---|
| Name | SIBRAFIBAN |
|---|
| ChEMBL ID | CHEMBL435176 |
|---|
| Molecular Formula | C20H28N4O6 |
|---|
| Molecular Weight | 420.47 |
|---|
| Molecular Weight (Monoisotopic) | 420.2009 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | RO 48-3657/001|RO-48-3657|RO-483657001|SIBRAFIBAN |
|---|
| Smiles | CCOC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(/C(N)=N/O)cc2)CC1 |
|---|
| Inchi | InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/t13-/m0/s1 |
|---|
| Inchi Key | WBNUCLPUOSXSNJ-ZDUSSCGKSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 16.0 |
|---|
| Np Likeness Score | -1.09 |
|---|
| Records Key | ['SIBRAFIBAN', 'sibrafiban', 'Ro-483657 (sibrafiban)', 'SIBRAFIBAN', 'Sibrafiban'] |
|---|
| Records Name | ['SIBRAFIBAN', '((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino]-propionyl}-piperidin-4-yloxy)-acetic acid ethyl ester', '(1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino]-propionyl}-1,2,3,4-tetrahydro-pyridin-4-yloxy)-acetic acid ethyl ester', None, 'Sibrafiban'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
