Compound Detail
CHEMBL108760
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Basic Information
| ChEMBL ID | CHEMBL108760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJOXJJYSFBAIOV-WMZJFQQLSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.6
MW (Da)
2.37
ALogP
3
HBA
3
HBD
90.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.1 | 6.05 | 80.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of HIV integrase | 16546383 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of HIV1 recombinant integrase | 16546383 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 520.0 | nM | 6.28 | Inhibitory effect on strand transfer of proximal DNA into host DNA in an extrace... | 12109903 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 520.0 | nM | 6.28 | Strand transfer inhibitory activity against HIV-1 integrase | 16250669 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 65000.0 | nM | 4.19 | 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 |
| 16546383 | 10.1016/j.bmcl.2006.03.010 | Human immunodeficiency virus type 1 integrase | 2 |
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine