Trade Names: | |
Synonyms: | |
Status: | Approved (2008) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | J05AG04 |
UNII: | 0C50HW4FO1 |
InChI Key | PYGWGZALEOIKDF-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C20H15BrN6O |
Molecular Weight | 435.29 |
AlogP | 4.72 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 120.64 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 28.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Human immunodeficiency virus type 1 reverse transcriptase inhibitor | DailyMed |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
2-46 | 1-6500 | - | - | 33 | |
Enzyme
Protease
Cysteine protease
Cysteine protease CA clan
Cysteine protease C1A family
|
- | 4000 | - | - | - | |
Enzyme
|
2-46 | 1-6500 | - | - | 33 | |
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 25119 | - | - | - | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 7600 | - | - | - | |
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 5100 | - | - | - | |
Transporter
Primary active transporter
ATP-binding cassette
ABCG subfamily
|
- | 6000 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
HIV | 4 | D006678 | FDA |
HIV Infections | 4 | D015658 | ClinicalTrials |
Acquired Immunodeficiency Syndrome | 2 | D000163 | ClinicalTrials |
Friedreich Ataxia | 2 | D005621 | ClinicalTrials |
Infections | 1 | D007239 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 269055-15-4 |
ChEBI | 63589 |
ChEMBL | CHEMBL308954 |
DrugBank | DB06414 |
DrugCentral | 1115 |
EPA CompTox | DTXSID30181412 |
FDA SRS | 0C50HW4FO1 |
KEGG | D04112 |
PDB | 65B |
PharmGKB | PA166014703 |
PubChem | 193962 |
SureChEMBL | SCHEMBL52691 |
ZINC | ZINC000000602632 |