Compound Detail
CHEMBL3582061
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Basic Information
| ChEMBL ID | CHEMBL3582061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJSYIYAMRGJONO-NVMNQCDNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
2.67
ALogP
7
HBA
2
HBD
139.7
PSA (Ų)
0.22
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.19 | 5.38 | 640.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 640.0 | nM | 6.19 | Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity... | 25961960 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of HIV-1 integrase assessed as inhibition of 3'-processing activity u... | 25961960 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of RNase H function of HIV1 reverse transcriptase using DNA/RNA hybri... | 25961960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25961960 | 10.1021/acs.jmedchem.5b00159 | Human immunodeficiency virus type 1 integrase | 2 |
| 25961960 | 10.1021/acs.jmedchem.5b00159 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 25961960 | 10.1021/acs.jmedchem.5b00159 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine