Compound Detail
CHEMBL2180481
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Basic Information
| ChEMBL ID | CHEMBL2180481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPVPQIOUSAJQDM-DEOSSOPVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
5.92
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.75 | 7.735 | 18.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 18.0 | nM | 7.75 | Binding affinity to recombinant HIV-1 integrase catalytic core domain expressed ... | 26048795 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 19.0 | nM | 7.72 | Inhibition of HIV1 His6-tagged integrase-human GST tagged LEDGF/p75 (373-442 res... | 23046280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23046280 | 10.1021/jm301226a | Human immunodeficiency virus type 1 integrase | 1 |
| 26048795 | 10.1016/j.bmcl.2015.05.011 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine