Compound Detail
CHEMBL4161705
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Basic Information
| ChEMBL ID | CHEMBL4161705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROXJHRFULVTUSW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
1.66
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.66 | 5.66 | 2200.0 | 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 | = | 84.0 | nM | 7.08 | Inhibition of RNH activity of recombinant HIV1 reverse transcriptase RNase H ass... | 29031062 |
| Tripartite terminase subunit 3 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Human Cytomegalovirus C-terminal UL89 phosphorylation using (5-tcg... | 37827528 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of HIV1 integrase pre-incubated for 10 mins before DNA substrate addi... | 29031062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Gag-Pol polyprotein | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Human immunodeficiency virus type 1 integrase | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Human immunodeficiency virus 1 | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | CEM-SS | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | ADMET | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Tripartite terminase subunit 3 | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Cytomegalovirus | 1 |
Data from ChEMBL 36 via Core Engine