Bioactive Compound Details
| BioID | bio2822 |
|---|---|
| Name | APADOLINE |
| ChEMBL ID | CHEMBL442174 |
| Molecular Formula | C23H29N3OS |
| Molecular Weight | 395.57 |
| Molecular Weight (Monoisotopic) | 395.2031 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | APADOLINA|APADOLINE |
| Smiles | CCCNC(=O)c1ccc2c(c1)N([C@H](C)CN1CCCC1)c1ccccc1S2 |
| Inchi | InChI=1S/C23H29N3OS/c1-3-12-24-23(27)18-10-11-22-20(15-18)26(17(2)16-25-13-6-7-14-25)19-8-4-5-9-21(19)28-22/h4-5,8-11,15,17H,3,6-7,12-14,16H2,1-2H3,(H,24,27)/t17-/m1/s1 |
| Inchi Key | KXMAIWXPZGQNCR-QGZVFWFLSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -1.35 |
| Records Key | ['85', 'APADOLINE'] |
| Records Name | ['(S)-10-(1-Methyl-2-pyrrolidin-1-yl-ethyl)-10H-phenothiazine-2-carboxylic acid propylamide (RP 60180)', 'APADOLINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
