Trade Names: | |
Synonyms: | |
Status: | Approved (2007) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | J05AJ01 |
UNII: | 22VKV8053U |
InChI Key | CZFFBEXEKNGXKS-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 | - |
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 |
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 |