| Synonyms: | |
| Status: | Approved (2012) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | J04AK05 |
| UNII: | 78846I289Y |
Structure
| InChI Key | QUIJNHUBAXPXFS-XLJNKUFUSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C32H31BrN2O2 |
| Molecular Weight | 555.52 |
| AlogP | 7.13 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 45.59 |
| Molecular species | BASE |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 37.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
15000 | 370-1600 | - | - | - | |
|
Transporter
Primary active transporter
F-type and V-type ATPases
|
- | - | 500 | - | - | |
|
Unclassified protein
|
- | 3-10 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Tuberculosis | 4 | D014376 | ClinicalTrials |
| Tuberculosis, Multidrug-Resistant | 3 | D018088 | ClinicalTrials |
| Tuberculosis, Pulmonary | 3 | D014397 | ClinicalTrials |
| Tuberculosis, Multidrug-Resistant | 3 | D018088 | ClinicalTrials |
| Leprosy | 2 | D007918 | ClinicalTrials |
| Mycobacterium avium-intracellulare Infection | 2 | D015270 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 843663-66-1 |
| ChEBI | 72292 |
| ChEMBL | CHEMBL376488 |
| DrugBank | DB08903 |
| DrugCentral | 4741 |
| FDA SRS | 78846I289Y |
| Guide to Pharmacology | 11171 |
| KEGG | C14122 |
| PDB | BQ1 |
| PubChem | 5388906 |
| SureChEMBL | SCHEMBL295482 |
| ZINC | ZINC000004655029 |
CONTENTS