| BioID | bio3274 |
|---|
| Name | NAVACAPRANT |
|---|
| ChEMBL ID | CHEMBL4592045 |
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| Molecular Formula | C25H32FN5O2 |
|---|
| Molecular Weight | 453.56 |
|---|
| Molecular Weight (Monoisotopic) | 453.254 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BTRX-335140|CYM-53093|NAVACAPRANT |
|---|
| Smiles | CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1 |
|---|
| Inchi | InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3 |
|---|
| Inchi Key | CQOJHAJWCDJEAT-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 13.0 |
|---|
| Bioactivities | 33.0 |
|---|
| Np Likeness Score | -1.39 |
|---|
| Records Key | ['58; CYM-53093, BTRX-335140', 'NAVACAPRANT', 'NAVACAPRANT', 'BTRX-335140; CYM-53093'] |
|---|
| Records Name | ['1-(6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine', 'NAVACAPRANT', 'NAVACAPRANT', '1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
