Compound Detail
CHEMBL516025
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Basic Information
| ChEMBL ID | CHEMBL516025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPSUATBRKZSLGB-UCQKPKSFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
4.55
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of HIV1 integrase strand transfer activity | 19450984 |
| Human immunodeficiency virus 1 | IC50 | = | 480.0 | nM | 6.32 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
| 19450984 | 10.1016/j.bmc.2009.04.058 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine