Compound Detail
CHEMBL3596978
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Basic Information
| ChEMBL ID | CHEMBL3596978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEHBAMMWLMHPDA-VAWYXSNFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.87
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.31 | 5.31 | 4870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4870.0 | nM | 5.31 | Antiviral activity against HCV subtype 2a J6/JFH/JC1 infected in human Huh7.5 ce... | 27783522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26093280 | 10.1016/j.ejmech.2015.06.008 | Staphylococcus aureus | 10 |
| 27783522 | 10.1021/acs.jmedchem.6b01301 | Unchecked | 3 |
| 26093280 | 10.1016/j.ejmech.2015.06.008 | Bacillus subtilis | 1 |
| 26093280 | 10.1016/j.ejmech.2015.06.008 | Staphylococcus epidermidis | 1 |
| 26093280 | 10.1016/j.ejmech.2015.06.008 | Escherichia coli | 1 |
| 26093280 | 10.1016/j.ejmech.2015.06.008 | Proteus vulgaris | 1 |
| 26093280 | 10.1016/j.ejmech.2015.06.008 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine