| BioID | bio3144 |
|---|
| Name | LECOZOTAN |
|---|
| ChEMBL ID | CHEMBL372205 |
|---|
| Molecular Formula | C28H29N5O3 |
|---|
| Molecular Weight | 483.57 |
|---|
| Molecular Weight (Monoisotopic) | 483.227 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LECOZOTAN |
|---|
| Smiles | C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1 |
|---|
| Inchi | InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1 |
|---|
| Inchi Key | NRPQELCNMADTOZ-OAQYLSRUSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 11.0 |
|---|
| Np Likeness Score | -1.58 |
|---|
| Records Key | ['11c', 'Lecozotan', 'LECOZOTAN', '4330'] |
|---|
| Records Name | ['4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-propyl}-N-pyridin-2-yl-benzamide', 'Lecozotan', 'LECOZOTAN', None] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
