Bioactive Compound Details
| BioID | bio2071 |
|---|---|
| Name | PIBUTIDINE |
| ChEMBL ID | CHEMBL1742413 |
| Molecular Formula | C19H24N4O3 |
| Molecular Weight | 356.43 |
| Molecular Weight (Monoisotopic) | 356.1848 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | PIBUTIDINA|PIBUTIDINE |
| Smiles | Nc1c(NC/C=C\COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O |
| Inchi | InChI=1S/C19H24N4O3/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2/b5-2- |
| Inchi Key | XMDYZASWLGWIPL-DJWKRKHSSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | -0.96 |
| Records Key | ['SID144206830', 'PIBUTIDINE'] |
| Records Name | ['SID144206830', 'PIBUTIDINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
