Compound Detail
CHEMBL5182853
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Basic Information
| ChEMBL ID | CHEMBL5182853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRRPSTKWKIHULC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.20
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 | Ki | = | 170.0 | nM | 6.77 | Inhibition of PKN2 (unknown origin) by TR-FRET-based tracer displacement assay d... | 35104640 |
| Serine/threonine-protein kinase N2 | IC50 | = | 350.0 | nM | 6.46 | Inhibition of PKN2 (unknown origin) by TR-FRET-based tracer displacement assay | 35104640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35104640 | 10.1016/j.bmcl.2022.128588 | Serine/threonine-protein kinase N2 | 2 |
| 35104640 | 10.1016/j.bmcl.2022.128588 | Serine/threonine-protein kinase N1 | 2 |
| 35104640 | 10.1016/j.bmcl.2022.128588 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine