Compound Detail
CHEMBL185288
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Basic Information
| ChEMBL ID | CHEMBL185288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACLJKEBNZAPJKS-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
1.72
ALogP
3
HBA
2
HBD
84.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.79
Ki 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 5.09 | 5.09 | 8190.0 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | IC50 | 4.79 | 4.79 | 16380.0 | 1 |
| Coxsackievirus B3 CHEMBL613554 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | Ki | 4.49 | 4.49 | 32540.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | IC50 | 4.18 | 4.18 | 66290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 | Ki | = | 8190.0 | nM | 5.09 | Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N2 | IC50 | = | 16380.0 | nM | 4.79 | Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay | 32085971 |
| Coxsackievirus B3 | IC50 | = | 26000.0 | nM | 4.58 | Antiviral activity against Coxsackievirus B3 infected in african green monkey Ve... | 21441033 |
| Serine/threonine-protein kinase N1 | Ki | = | 32540.0 | nM | 4.49 | Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N1 | IC50 | = | 66290.0 | nM | 4.18 | Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay | 32085971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603937 | 10.1016/j.bmcl.2004.10.087 | Vero | 3 |
| 32085971 | 10.1016/j.bmcl.2020.127040 | Serine/threonine-protein kinase N2 | 2 |
| 32085971 | 10.1016/j.bmcl.2020.127040 | Serine/threonine-protein kinase N1 | 2 |
| 21441033 | 10.1016/j.bmc.2011.03.007 | Vero | 1 |
| 21441033 | 10.1016/j.bmc.2011.03.007 | Coxsackievirus B3 | 1 |
| 21441033 | 10.1016/j.bmc.2011.03.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine