Compound Detail
CHEMBL254522
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Basic Information
| ChEMBL ID | CHEMBL254522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQCJJGAMBBQELK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.35
ALogP
4
HBA
1
HBD
77.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
IC50 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against HIV1 3B in MT2 cells after 5 days | 18207398 |
| Unchecked | IC50 | = | 71.0 | nM | 7.15 | Inhibition of HIV integrase strand transfer activity | 18207398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18207398 | 10.1016/j.bmcl.2008.01.018 | Unchecked | 1 |
| 18207398 | 10.1016/j.bmcl.2008.01.018 | Human immunodeficiency virus 1 | 1 |
| 18207398 | 10.1016/j.bmcl.2008.01.018 | Human immunodeficiency virus | 1 |
| 18207398 | 10.1016/j.bmcl.2008.01.018 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine