Compound Detail
CHEMBL277754
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Basic Information
| ChEMBL ID | CHEMBL277754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHSASERQYVVBSX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.85
ALogP
6
HBA
3
HBD
95.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.16 | 7.155 | 70.0 | 2 |
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of HIV1 integrase strand transfer activity | 17107799 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 70.79 | nM | 7.15 | Inhibition of HIV1 integrase strand transfer activity | 19327872 |
| Tripartite terminase subunit 3 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 3 |
| 17107799 | 10.1016/j.bmcl.2006.10.054 | Human immunodeficiency virus type 1 integrase | 1 |
| 19327872 | 10.1016/j.ejmech.2009.03.001 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine