| Synonyms: | |
| Status: | Approved (2009) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | ZUV4B00D9P |
Structure
| InChI Key | DYLGFOYVTXJFJP-MYYYXRDXSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C30H32Cl3NO |
| Molecular Weight | 528.95 |
| AlogP | 9.15 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 23.47 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 35.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 377-8128 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Malaria | 4 | D008288 | ClinicalTrials |
| Malaria, Falciparum | 3 | D016778 | ClinicalTrials |
| Malaria, Vivax | 3 | D016780 | ClinicalTrials |
| Fever | 3 | D005334 | ClinicalTrials |
| Schistosomiasis haematobia | 2 | D012553 | ClinicalTrials |
| HIV Infections | 1 | D015658 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 156095 |
| ChEMBL | CHEMBL38827 |
| DrugBank | DB06708 |
| DrugCentral | 1617 |
| EPA CompTox | DTXSID3046663 |
| FDA SRS | ZUV4B00D9P |
| Human Metabolome Database | HMDB0015653 |
| Guide to Pharmacology | 9969 |
| PharmGKB | PA165111722 |
| PubChem | 6437380 |
| SureChEMBL | SCHEMBL127331 |
CONTENTS