Compound Detail
CHEMBL4638533
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Basic Information
| ChEMBL ID | CHEMBL4638533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHBYBYPYUGVDDF-LUTUWXHWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
-0.98
ALogP
8
HBA
4
HBD
130.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.92
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chikungunya virus CHEMBL4296563 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chikungunya virus | EC50 | = | 120.0 | nM | 6.92 | Antiviral activity against CHIKV LS3 infected in African green monkey Vero E6 ce... | 31841728 |
| Adenosylhomocysteinase | IC50 | = | 360.0 | nM | 6.44 | Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 ... | 31841728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31841728 | 10.1016/j.ejmech.2019.111956 | Zika virus | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | SARS-CoV | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Middle East respiratory syndrome-related coronavirus | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Adenosylhomocysteinase | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Chikungunya virus | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Vero C1008 | 1 |
| 31841728 | 10.1016/j.ejmech.2019.111956 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine