Compound Detail
CHEMBL18266
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Basic Information
| ChEMBL ID | CHEMBL18266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSRZDPROOJRCNF-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
1.80
ALogP
5
HBA
5
HBD
110.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.08
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.08 | 6.08 | 842.1 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.52 | 5.0 | 3000.0 | 2 |
| Influenza A virus CHEMBL613740 | EC50 | 5.31 | 5.31 | 4940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 842.14 | nM | 6.08 | Inhibition of recombinant Influenza A virus (A/USA:Huston/AA/1945 H1N1)) N-termi... | 31954881 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3000.0 | nM | 5.52 | In vitro inhibitory activity against HIV-1 integrase. | 7473544 |
| Influenza A virus | EC50 | = | 4940.0 | nM | 5.31 | Antiviral activity against Influenza A virus (A/WSN/1933(H1N1)) infected in dog ... | 31954881 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of HIV-1 integrase-mediated 3'-processing | 9111292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31954881 | 10.1016/j.ejmech.2020.112048 | Unchecked | 2 |
| 7473544 | 10.1021/jm00021a006 | Human immunodeficiency virus type 1 integrase | 1 |
| 9111292 | 10.1021/jm960449w | Human immunodeficiency virus type 1 integrase | 1 |
| 31954881 | 10.1016/j.ejmech.2020.112048 | Influenza A virus | 1 |
| 31954881 | 10.1016/j.ejmech.2020.112048 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine