Compound Detail
CHEMBL324711
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Basic Information
| ChEMBL ID | CHEMBL324711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSKPLUCPMNOYES-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.00
ALogP
5
HBA
1
HBD
43.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| MDCK CHEMBL614068 | IC50 | 5.48 | 5.395 | 3300.0 | 2 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDCK | IC50 | = | 3300.0 | nM | 5.48 | Inhibitory concentration against influenza virus B in MDCK cells | 7658442 |
| HeLa | IC50 | = | 3300.0 | nM | 5.48 | Inhibitory concentration against respiratory syncytial virus in HeLa cells | 7658442 |
| MDCK | IC50 | = | 4900.0 | nM | 5.31 | Inhibitory concentration against influenza virus A in MDCK cells | 7658442 |
| Human immunodeficiency virus 2 | IC50 | = | 17700.0 | nM | 4.75 | Inhibitory concentration against HIV-2 replication | 7658442 |
| Human immunodeficiency virus 1 | IC50 | = | 20600.0 | nM | 4.69 | Inhibitory concentration against HIV-1 replication | 7658442 |
| Vero | IC50 | = | 33000.0 | nM | 4.48 | Inhibitory concentration against parainfluenza-3 virus in vero 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 |
| 7658442 | 10.1021/jm00018a015 | Human immunodeficiency virus 1 | 1 |
| 7658442 | 10.1021/jm00018a015 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine