Compound Detail
CHEMBL192771
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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 | CHEMBL192771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIEOLFZNMKSGEX-RITPCOANSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
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 | Unknown |
Activity Summary
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Ki | 6.3 | 6.3 | 501.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 501.0 | nM | 6.3 | Inhibitory constant against HIV-1 reverse transcriptase | 15801860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801860 | 10.1021/jm040101y | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine