Compound Detail
CHEMBL49350
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Basic Information
| ChEMBL ID | CHEMBL49350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEUNWOFTYKAWDL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
2.62
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.4 | 4.4 | 39810.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of epidermal growth factor receptor (EGFR) | - |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 40000.0 | nM | 4.4 | In vitro inhibitory activity against HIV-1 integrase. | 7473544 |
| Tyrosine-protein kinase Lck | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of p56 lck tyrosine kinase | - |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 39810.72 | nM | 4.4 | Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | 11831895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473544 | 10.1021/jm00021a006 | Human immunodeficiency virus type 1 integrase | 1 |
| - | 10.1016/S0960-894X(00)80473-4 | Epidermal growth factor receptor | 1 |
| - | 10.1016/S0960-894X(00)80473-4 | Tyrosine-protein kinase Lck | 1 |
| 11831895 | 10.1021/jm010399h | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine