Compound Detail
CHEMBL271681
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Basic Information
| ChEMBL ID | CHEMBL271681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTGSHXYAPSDAIB-QUBYGPBYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
0.76
ALogP
7
HBA
1
HBD
88.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.66
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.66 | 5.66 | 2200.0 | 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 | = | 400.0 | nM | 6.4 | Inhibition of wild type HIV 3B reverse transcriptase in MT2 cells | 18164198 |
| Human immunodeficiency virus 1 | EC50 | = | 2200.0 | nM | 5.66 | Antiviral activity against wild type HIV1 3B in MT2 cells | 18164198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18164198 | 10.1016/j.bmcl.2007.11.125 | Human immunodeficiency virus | 3 |
| 18164198 | 10.1016/j.bmcl.2007.11.125 | Human immunodeficiency virus 1 | 1 |
| 18164198 | 10.1016/j.bmcl.2007.11.125 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine