Molecule Details
| InChIKey | JFIBVDBTCDTBRH-REZTVBANSA-N |
|---|---|
| Canonical SMILES | CC(C)=CCC/C(C)=C/CNCCNC1C2CC3CC(C2)CC1C3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05186 |
|---|---|
| Drug Name | SQ-109 |
| CAS Number | 502487-67-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | SQ-109 is an orally active, small molecule antibiotic for treatment of pulmonary TB. Currently in Phase I clinical trials, SQ-109 could replace one or more drugs in the current first-line TB drug regimen, simplify therapy, and shorten the TB treatment regimen. |
Categories: Amines Bridged-Ring Compounds Cycloparaffins Diamines Polyamines
Cross-references: BindingDB: 50388398 CHEMBL561057 ChemSpider: 4438718 PubChem:5274428 PubChem:175426955 ZINC: ZINC000039959796