| BioID | bio3275 |
|---|
| Name | VORBIPIPRANT |
|---|
| ChEMBL ID | CHEMBL3920982 |
|---|
| Molecular Formula | C26H27F3N2O3 |
|---|
| Molecular Weight | 472.51 |
|---|
| Molecular Weight (Monoisotopic) | 472.1974 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CR 6086|CR-6086|CR6086|VORBIPIPRANT |
|---|
| Smiles | O=C(O)c1ccc(C2(NC(=O)C3CC4(CCN3Cc3ccc(C(F)(F)F)cc3)CC4)CC2)cc1 |
|---|
| Inchi | InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34) |
|---|
| Inchi Key | CADWTPLFEZSAHM-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.6 |
|---|
| Records Key | ['VORBIPIPRANT', 'BDBM191548', 'VORBIPIPRANT'] |
|---|
| Records Name | ['VORBIPIPRANT', 'US9181279, E7', 'VORBIPIPRANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
