Compound Detail
CHEMBL373761
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Basic Information
| ChEMBL ID | CHEMBL373761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBAXAWROWFFEGK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.93
ALogP
6
HBA
3
HBD
95.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 8.0 | 6.15 | 10.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of HIV1 integrase strand transfer activity | 19327872 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of HIV1 integrase strand transfer activity | 17428043 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of HIV1 integrase strand transfer activity | 17107799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17428043 | 10.1021/jm070027u | Unchecked | 1 |
| 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