Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 85VMN9JU7A |
InChI Key | BUPRVECGWBHCQV-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C22H23F2N5O |
Molecular Weight | 411.46 |
AlogP | 3.61 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 76.18 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 30.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | - | - | 156 | - | |
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 13400 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Malaria | 2 | D008288 | ClinicalTrials |
Malaria, Falciparum | 2 | D016778 | ClinicalTrials |
Resources | Reference |
---|---|
ChEMBL | CHEMBL2058833 |
DrugBank | DB16173 |
FDA SRS | 85VMN9JU7A |
Guide to Pharmacology | 9946 |
PubChem | 49856296 |
SureChEMBL | SCHEMBL1047381 |