Compound Detail
CHEMBL82439
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Basic Information
| ChEMBL ID | CHEMBL82439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIZHACWNMXZCRJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.50
ALogP
4
HBA
1
HBD
70.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.43 | 5.43 | 3700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.2 | nM | 8.21 | Inhibition of HIV reverse transcriptase | 35219150 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3700.0 | nM | 5.43 | Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template) | 7683054 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3700.0 | nM | 5.43 | Inhibitory activity against HIV-1 reverse transcriptase (RT) | 1716683 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of HIV-1 reverse transcriptase. | 1279172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7683054 | 10.1021/jm00060a002 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7520081 | 10.1021/jm00042a005 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1716683 | 10.1021/jm00113a036 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1716683 | 10.1021/jm00113a036 | H9 | 1 |
| 1279172 | 10.1021/jm00099a006 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 35219150 | 10.1016/j.ejmech.2022.114199 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine