| BioID | bio2740 |
|---|
| Name | PICLOZOTAN |
|---|
| ChEMBL ID | CHEMBL345237 |
|---|
| Molecular Formula | C23H24ClN3O2 |
|---|
| Molecular Weight | 409.92 |
|---|
| Molecular Weight (Monoisotopic) | 409.1557 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | PICLOZOTAN|Piclozotan|SUN-N-4057|SUN-N4057 |
|---|
| Smiles | O=C1c2ccccc2OC=C(Cl)N1CCCCN1CC=C(c2ccccn2)CC1 |
|---|
| Inchi | InChI=1S/C23H24ClN3O2/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20/h1-4,7-10,12,17H,5-6,11,13-16H2 |
|---|
| Inchi Key | URMTUEWUIGOJBW-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | -0.55 |
|---|
| Records Key | ['5', 'PICLOZOTAN', 'PICLOZOTAN'] |
|---|
| Records Name | [3-Chloro-4-[4-(3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one", 'PICLOZOTAN', 'PICLOZOTAN']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
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