| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1992) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J05AF03 |
| UNII: | 6L3XT8CB3I |
Structure
| InChI Key | WREGKURFCTUGRC-POYBYMJQSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13N3O3 |
| Molecular Weight | 211.22 |
| AlogP | -0.5 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 90.37 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Human immunodeficiency virus type 1 reverse transcriptase inhibitor | FDA |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
31 | - | - | 51 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Chemokine receptor
CXC chemokine receptor
|
88 | - | - | - | - | |
|
Secreted protein
|
- | - | 44000 | - | - |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| HIV Infections | 3 | D015658 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7481-89-2 |
| ChEBI | 10101 |
| ChEMBL | CHEMBL853 |
| DrugBank | DB00943 |
| DrugCentral | 2856 |
| EPA CompTox | DTXSID0023747 |
| FDA SRS | 6L3XT8CB3I |
| Human Metabolome Database | HMDB0015078 |
| Guide to Pharmacology | 4828 |
| KEGG | C07207 |
| PharmGKB | PA451950 |
| PubChem | 24066 |
| SureChEMBL | SCHEMBL3598 |
| ZINC | ZINC000000039906 |
CONTENTS