| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1998) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt Prodrug |
| UNII: | J220T4J9Q2 |
| Parent Compound: | ABACAVIR |
Structure
| InChI Key | MBFKCGGQTYQTLR-SCYNACPDSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C28H38N12O6S |
| Molecular Weight | 670.76 |
| 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
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Human immunodeficiency virus type 1 reverse transcriptase inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 27.08 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -5.79-10.18 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| AIDS Dementia Complex | 3 | D015526 | ClinicalTrials |
| Psoriasis | 1 | D011565 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 2361 |
| ChEMBL | CHEMBL4303288 |
| EPA CompTox | DTXSID40894147 |
| FDA SRS | J220T4J9Q2 |
| Guide to Pharmacology | 4825 |
| KEGG | C07210 |
| PDB | AZZ |
| PubChem | 441384 |
| SureChEMBL | SCHEMBL40817 |
| ZINC | ZINC03779042 |
CONTENTS