Compound Detail
CHEMBL118982
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Basic Information
| ChEMBL ID | CHEMBL118982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKOCTYUXNMMXHZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
1.98
ALogP
4
HBA
2
HBD
66.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDCK CHEMBL614068 | IC50 | 4.26 | 4.26 | 54400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDCK | IC50 | = | 54400.0 | nM | 4.26 | Inhibitory concentration against influenza virus A in MDCK cells | 7658442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658442 | 10.1021/jm00018a015 | MDCK | 3 |
| 7658442 | 10.1021/jm00018a015 | HeLa | 2 |
| 7658442 | 10.1021/jm00018a015 | Vero | 2 |
| 7658442 | 10.1021/jm00018a015 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine