Compound Detail
CHEMBL573638
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Basic Information
| ChEMBL ID | CHEMBL573638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFCTWMXOJGKNNX-GDNBJRDFSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.19
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.84
IC50 1 meas. best 4.94
Ki 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | EC50 | 5.84 | 5.84 | 1450.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | Ki | = | 280.0 | nM | 6.55 | Binding affinity to PA N-terminal domain (Competitive) | 22211528 |
| Polymerase acidic protein | EC50 | = | 1450.0 | nM | 5.84 | Plaque growth inhibition | 22211528 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 11400.0 | nM | 4.94 | Inhibition of HIV1 integrase strand transfer activity | 19450984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22211528 | 10.1021/cb200439z | Polymerase acidic protein | 2 |
| 19450984 | 10.1016/j.bmc.2009.04.058 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine