Compound Detail
CHEMBL495739
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Basic Information
| ChEMBL ID | CHEMBL495739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHBFPBSHOACTQT-SQQVDAMQSA-N |
| Parent Compound | CHEMBL104264 |
| Active Moiety | CHEMBL104264 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
3.58
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Dengue virus CHEMBL613757 | IC50 | 6.05 | 6.035 | 900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) | IC50 | = | 50.0 | nM | 7.3 | Inhibition of PKA (unknown origin) | 33539089 |
| Dengue virus | IC50 | = | 900.0 | nM | 6.05 | Antiviral activity against DENV infected in HEK293 cells | 33539089 |
| Dengue virus | IC50 | = | 960.0 | nM | 6.02 | Antiviral activity against DENV | 33539089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Dengue virus | 2 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | cAMP-dependent protein kinase (PKA) | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine