Compound Detail
CHEMBL341421
EMTRICITABINE 5'-TRIPHOSPHATE Enter ChEMBL ID:
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Nc1nc(=O)n([C@@H]2CS[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1F
Basic Information
| ChEMBL ID | CHEMBL341421 |
| Name | EMTRICITABINE 5'-TRIPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIEOLFZNMKSGEX-NTSWFWBYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
2
Known Names
Molecular Properties
487.2
MW (Da)
-0.10
ALogP
12
HBA
5
HBD
230.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Activity Summary
Kd 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Kd | 4.92 | 4.92 | 12000.0 | 1 |
| DNA polymerase subunit gamma-1 CHEMBL2732 | Kd | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | Kd | = | 12000.0 | nM | 4.92 | Equilibrium binding constant at the active site of HIV-1 reverse transcriptase | 14698176 |
| DNA polymerase subunit gamma-1 | Kd | = | 63000.0 | nM | 4.2 | Binding affinity to human DNA polymerase gamma assessed as dissociation constant | 37393791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698176 | 10.1016/j.bmcl.2003.10.042 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 37393791 | 10.1016/j.ejmech.2023.115586 | DNA polymerase subunit gamma-1 | 3 |
Data from ChEMBL 36 via Core Engine