| BioID | bio1932 |
|---|
| Name | SAREDUTANT |
|---|
| ChEMBL ID | CHEMBL308148 |
|---|
| Molecular Formula | C31H35Cl2N3O2 |
|---|
| Molecular Weight | 552.55 |
|---|
| Molecular Weight (Monoisotopic) | 551.2106 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | SAREDUTANT|SR-48968 |
|---|
| Smiles | CC(=O)NC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 |
|---|
| Inchi | InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1 |
|---|
| Inchi Key | PGKXDIMONUAMFR-AREMUKBSSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 11.0 |
|---|
| Bioactivities | 34.0 |
|---|
| Np Likeness Score | -1.06 |
|---|
| Records Key | ['(+/-)-1', 'SR-48968', 'SR-48968', '1 (Sanofi SR-48968)', '1', '2', '1', 'SAREDUTANT', '1a (SR-48968)', '14 (SR-48968)', 'SR-48968', 'SAREDUTANT'] |
|---|
| Records Name | ['N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'SAREDUTANT', 'N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide', 'SAREDUTANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
