Compound Detail
CHEMBL3348566
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Basic Information
| ChEMBL ID | CHEMBL3348566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJPDDNRHGYUZCQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
273.2
MW (Da)
1.28
ALogP
5
HBA
2
HBD
104.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.75 | 4.925 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1800.0 | nM | 5.75 | Inhibitory effect on strand transfer of proximal DNA into host DNA in an extrace... | 12109903 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 79000.0 | nM | 4.1 | Inhibitory effect on 3'-processing(3'-P) of proximal DNA in an extracellular HIV... | 12109903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109903 | 10.1021/jm020037p | Human immunodeficiency virus type 1 integrase | 2 |
| 12109903 | 10.1021/jm020037p | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine