Compound Detail
CHEMBL83825
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Basic Information
| ChEMBL ID | CHEMBL83825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEJZGGFJHZQHRW-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
2.32
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 10.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 10.24 | 10.24 | 0.1 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.52 | 7.52 | 30.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.058 | nM | 10.24 | Inhibition of HIV reverse transcriptase | 35219150 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against HIV-1 reverse transcriptase (RT) | 1716683 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 30.0 | nM | 7.52 | In vitro HIV-1 RT inhibitory activity using rC.dG as template-primer | 1279173 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of HIV-1 reverse transcriptase. | 1279172 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 30.0 | nM | 7.52 | Displacement of [8,5'-3H]dGTP from HIV-1 reverse transcriptase | 35219150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1279172 | 10.1021/jm00099a006 | ADMET | 3 |
| 7520081 | 10.1021/jm00042a005 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1716683 | 10.1021/jm00113a036 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1279173 | 10.1021/jm00099a007 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1279172 | 10.1021/jm00099a006 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 35219150 | 10.1016/j.ejmech.2022.114199 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 35219150 | 10.1016/j.ejmech.2022.114199 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine