| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2007) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J05AJ01 |
| UNII: | 22VKV8053U |
Structure
| InChI Key | CZFFBEXEKNGXKS-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H21FN6O5 |
| Molecular Weight | 444.42 |
| AlogP | 0.91 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 152.24 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 32.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Auxiliary transport protein
Slow voltage-gated potassium channel accessory protein family
|
- | 25119 | - | - | - | |
|
Enzyme
Hydrolase
|
- | 2-12800 | - | - | 91-100 | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 25119 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Chemokine receptor
CC chemokine receptor
|
- | - | - | 5 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| HIV Infections | 3 | D015658 | ClinicalTrials |
| HIV Infections | 3 | D015658 | ClinicalTrials |
| Infections | 3 | D007239 | ClinicalTrials |
| Acquired Immunodeficiency Syndrome | 3 | D000163 | ClinicalTrials |
| Multiple Sclerosis, Relapsing-Remitting | 2 | D020529 | ClinicalTrials |
| HTLV-I Infections | 2 | D015490 | ClinicalTrials |
| Liver Cirrhosis, Biliary | 2 | D008105 | ClinicalTrials |
| Hepatitis C | 1 | D006526 | ClinicalTrials |
| Leukemia, Biphenotypic, Acute | 1 | D015456 | ClinicalTrials |
| Head and Neck Neoplasms | 0 | D006258 | ClinicalTrials |
| Paraparesis, Tropical Spastic | 0 | D015493 | ClinicalTrials |
Related Entries
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 518048-05-0 |
| ChEBI | 82960 |
| ChEMBL | CHEMBL254316 |
| DrugBank | DB06817 |
| DrugCentral | 2352 |
| EPA CompTox | DTXSID2048660 |
| FDA SRS | 22VKV8053U |
| PDB | RLT |
| PubChem | 54671008 |
| SureChEMBL | SCHEMBL51817 |
| ZINC | ZINC000013831130 |
CONTENTS