Compound Detail
CHEMBL1688504
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Basic Information
| ChEMBL ID | CHEMBL1688504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEKVYQRCICRDNH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
6.79
ALogP
4
HBA
0
HBD
31.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.6 | 6.035 | 250.0 | 2 |
| Adenosine kinase CHEMBL3589 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of HIV1 wild type reverse transcriptase | 21636271 |
| Adenosine kinase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human adenosine kinase | 21319802 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3350.0 | nM | 5.47 | Inhibition of HIV1 reverse transcriptase K103N mutant | 21636271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21636271 | 10.1016/j.bmcl.2011.05.020 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 21319802 | 10.1021/jm101438u | Adenosine kinase | 1 |
| 21319802 | 10.1021/jm101438u | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine