| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1991) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J05AF02 |
| UNII: | K3GDH6OH08 |
Structure
| InChI Key | BXZVVICBKDXVGW-NKWVEPMBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12N4O3 |
| Molecular Weight | 236.23 |
| AlogP | -0.21 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 93.03 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 17.0 |
Pharmacology
| 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
|
- | 5370-7150 | - | - | - | |
|
Secreted protein
|
- | - | 44000 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| AIDS-Related Complex | 3 | D000386 | ClinicalTrials |
| Acquired Immunodeficiency Syndrome | 3 | D000163 | ClinicalTrials |
| Tuberculosis | 3 | D014376 | ClinicalTrials |
| AIDS Dementia Complex | 2 | D015526 | ClinicalTrials |
| Lymphoma | 2 | D008223 | ClinicalTrials |
Related Entries
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 69655-05-6 |
| ChEBI | 490877 |
| ChEMBL | CHEMBL1460 |
| DrugBank | DB00900 |
| DrugCentral | 869 |
| EPA CompTox | DTXSID6022927 |
| FDA SRS | K3GDH6OH08 |
| Human Metabolome Database | HMDB0015037 |
| Guide to Pharmacology | 4833 |
| KEGG | C06953 |
| PDB | 2DI |
| PharmGKB | PA449301 |
| PubChem | 135398739 |
| SureChEMBL | SCHEMBL3363 |
| ZINC | ZINC000013597823 |
CONTENTS