| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R05CB02 |
| UNII: | Q1J152VB1P |
Structure
| InChI Key | OJGDCBLYJGHCIH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H20Br2N2 |
| Molecular Weight | 376.14 |
| AlogP | 4.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.26 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 20270 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
| Malaria | 0 | D008288 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 77032 |
| ChEMBL | CHEMBL253376 |
| DrugBank | DB09019 |
| DrugCentral | 402 |
| EPA CompTox | DTXSID6022686 |
| FDA SRS | Q1J152VB1P |
| Guide to Pharmacology | 11218 |
| PubChem | 2442 |
| SureChEMBL | SCHEMBL19059 |
| ZINC | ZINC000000608220 |
CONTENTS