Compound Detail
CHEMBL138054
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Nc1nc(=O)n([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=C2F)cc1F
Basic Information
| ChEMBL ID | CHEMBL138054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PROAGFUPQSQUOK-VHWMUFPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.1
MW (Da)
0.06
ALogP
11
HBA
5
HBD
230.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Kd | 4.19 | 4.19 | 64000.0 | 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 | = | 64000.0 | nM | 4.19 | Equilibrium binding constant at the active site of HIV-1 reverse transcriptase | 14698176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698176 | 10.1016/j.bmcl.2003.10.042 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
Data from ChEMBL 36 via Core Engine