| Synonyms: | |
| Status: | Approved (1998) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent Prodrug |
| ATC: | J05AF06 |
| UNII: | WR2TIP26VS |
Structure
| InChI Key | MCGSCOLBFJQGHM-SCZZXKLOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H18N6O |
| Molecular Weight | 286.34 |
| AlogP | 1.09 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 101.88 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
5300-15500 | 130 | - | - | - | |
|
Secreted protein
|
- | - | 44000 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Acquired Immunodeficiency Syndrome | 3 | D000163 | ClinicalTrials |
| HIV Infections | 3 | D015658 | ClinicalTrials |
| HIV Infections | 3 | D015658 | ClinicalTrials |
| Tuberculosis | 3 | D014376 | ClinicalTrials |
| Lipodystrophy | 2 | D008060 | ClinicalTrials |
| Acidosis, Lactic | 2 | D000140 | ClinicalTrials |
| Sarcoma, Kaposi | 2 | D012514 | ClinicalTrials |
| Hepatitis C | 1 | D006526 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 136470-78-5 |
| ChEBI | 421707 |
| ChEMBL | CHEMBL1380 |
| DrugBank | DB01048 |
| DrugCentral | 34 |
| FDA SRS | WR2TIP26VS |
| Human Metabolome Database | HMDB0015182 |
| Guide to Pharmacology | 11152 |
| KEGG | C07624 |
| PDB | 1KX |
| PharmGKB | PA448004 |
| PubChem | 441300 |
| SureChEMBL | SCHEMBL38632 |
| ZINC | ZINC000002015928 |
CONTENTS