Compound Detail
CHEMBL522229
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Basic Information
| ChEMBL ID | CHEMBL522229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNKSISMYHDFYGM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.3
MW (Da)
4.37
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.3 | 6.1 | 50.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of HIV1 integrase by overall integration assay | 18665580 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of HIV1 integrase DNA strand transfer activity | 18665580 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 16600.0 | nM | 4.78 | Inhibition of HIV1 integrase 3'-processing activity | 18665580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18665580 | 10.1021/jm8003784 | Human immunodeficiency virus type 1 integrase | 3 |
| 18665580 | 10.1021/jm8003784 | Human immunodeficiency virus 1 | 1 |
| 18665580 | 10.1021/jm8003784 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine