Compound Detail
CHEMBL413118
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Basic Information
| ChEMBL ID | CHEMBL413118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYZSTQBJIYNWIC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
1.43
ALogP
5
HBA
2
HBD
79.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 200.0 | nM | 6.7 | Ability to inhibit autophosphorylation of immunopurified p56Ick | 8474097 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 14000.0 | nM | 4.85 | In vitro inhibitory activity against HIV-1 integrase. | 7473544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473544 | 10.1021/jm00021a006 | Human immunodeficiency virus type 1 integrase | 1 |
| 8474097 | 10.1021/jm00056a001 | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine