Compound Detail
CHEMBL3290940
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Basic Information
| ChEMBL ID | CHEMBL3290940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBNKYOGPJCZQJA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
3
PK Parameters
9
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
3.44
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.9 | mL.min-1.kg-1 | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | 7.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of HIV1 reverse transcriptase RNase-H activity using dATP, dCTP, dTTP... | 24997293 |
| Unchecked | IC50 | = | 32.0 | nM | 7.5 | Inhibition of HIV reverse transcriptase RNase H activity | 31324562 |
| Human immunodeficiency virus | IC50 | = | 100.0 | nM | 7.0 | Antiviral activity against Vesicular stomatitis virus G-pseudotyped HIV infected... | 24997293 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 790.0 | nM | 6.1 | Inhibition of recombinant HIV1 integrase bound with donor DNA-SPA beads using [3... | 24997293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24997293 | 10.1016/j.ejmech.2014.06.061 | Rattus norvegicus | 4 |
| 24997293 | 10.1016/j.ejmech.2014.06.061 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 24997293 | 10.1016/j.ejmech.2014.06.061 | Human immunodeficiency virus | 1 |
| 24997293 | 10.1016/j.ejmech.2014.06.061 | Human immunodeficiency virus type 1 integrase | 1 |
| 24997293 | 10.1016/j.ejmech.2014.06.061 | Unchecked | 1 |
| 24997293 | 10.1016/j.ejmech.2014.06.061 | HEK-293T | 1 |
| 24997293 | 10.1016/j.ejmech.2014.06.061 | MDCK | 1 |
| 24997293 | 10.1016/j.ejmech.2014.06.061 | No relevant target | 1 |
| 31324562 | 10.1016/j.bmc.2019.07.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine