| BioID | bio3202 |
|---|
| Name | OSANETANT |
|---|
| ChEMBL ID | CHEMBL346178 |
|---|
| Molecular Formula | C35H41Cl2N3O2 |
|---|
| Molecular Weight | 606.64 |
|---|
| Molecular Weight (Monoisotopic) | 605.2576 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | OSANETANT|SB-236984|SR-14280|SR-142801|SR142801 |
|---|
| Smiles | CC(=O)N(C)C1(c2ccccc2)CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 |
|---|
| Inchi | InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1 |
|---|
| Inchi Key | DZOJBGLFWINFBF-UMSFTDKQSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 42.0 |
|---|
| Bioactivities | 130.0 |
|---|
| Np Likeness Score | -0.61 |
|---|
| Records Key | ['SR-142801', 'SR-142801', '1', 'Osanetant', '3, SR-142801, Osanetant', '1, SB-236984', '2', 'SR-142801', '3, osanetant, SR-142801', '1', 'OSANETANT', 'SR-142801', '2', 'Osanetant', 'COVC-3900077682', 'OSANETANT'] |
|---|
| Records Name | ['N-(3-{3-[1-Benzoyl-4-(3,4-dichloro-phenyl)-piperidin-4-yl]-propyl}-4-phenyl-piperidin-4-yl)-N-methyl-acetamide', 'N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-3-yl]-propyl}-4-phenyl-piperidin-4-yl)-N-methyl-acetamide', 'N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-3-yl]-propyl}-4-phenyl-piperidin-4-yl)-N-methyl-acetamide', 'Osanetant', '(S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]prop-1-yl)-4-phenylpiperidin-4-yl)-N-methylacetamine', 'Osanetant', 'Osanetant', 'Osanetant', '(S)-(+)-N-((3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]prop-1-yl)-4-phenylpiperidin-4-yl)-N-methylacetamine', 'osanetant', 'OSANETANT', 'N-(1-{3-[(R)-1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-3-yl]-propyl}-4-phenyl-piperidin-4-yl)-N-methyl-acetamide', 'osanetant', 'Osanetant', 'OSANETANT', 'OSANETANT'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
