Compound Detail
CHEMBL3608739
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Basic Information
| ChEMBL ID | CHEMBL3608739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKHQWHRYYQQMOC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
5.27
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.34
IC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.34 | 4.34 | 45200.0 | 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 | = | 1350.0 | nM | 5.87 | Inhibition of HIV1 reverse transcriptase | 26116177 |
| Human immunodeficiency virus 1 | EC50 | = | 45200.0 | nM | 4.34 | Antiviral activity against HIV1 infected in human MT4 cells assessed as reductio... | 26116177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26116177 | 10.1016/j.bmc.2015.06.016 | MT4 | 1 |
| 26116177 | 10.1016/j.bmc.2015.06.016 | Human immunodeficiency virus 1 | 1 |
| 26116177 | 10.1016/j.bmc.2015.06.016 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 26116177 | 10.1016/j.bmc.2015.06.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine