| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | A0HV2Q956Y |
Structure
| InChI Key | UCRHFBCYFMIWHC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C29H32Cl2N6 |
| Molecular Weight | 535.52 |
| AlogP | 5.42 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 38.74 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 37.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | - | - | 90 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Malaria | 3 | D008288 | ClinicalTrials |
| Malaria, Falciparum | 3 | D016778 | ClinicalTrials |
| Malaria, Vivax | 3 | D016780 | ClinicalTrials |
| Fever | 3 | D005334 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4085-31-8 |
| ChEBI | 91231 |
| ChEMBL | CHEMBL303933 |
| DrugBank | DB13941 |
| DrugCentral | 4193 |
| EPA CompTox | DTXSID00193825 |
| FDA SRS | A0HV2Q956Y |
| Guide to Pharmacology | 10025 |
| PharmGKB | PA166104279 |
| PubChem | 122262 |
| SureChEMBL | SCHEMBL131649 |
| ZINC | ZINC000026251015 |
CONTENTS