Compound Detail
CHEMBL252724
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Basic Information
| ChEMBL ID | CHEMBL252724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYIYLJLPAAZRRT-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
1.37
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.58
Ki 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Cell division cycle 7-related protein kinase CHEMBL5443 | IC50 | 6.39 | 6.39 | 404.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 | Ki | = | 130.0 | nM | 6.89 | Inhibition of PKN2 (unknown origin) by TR-FRET-based tracer displacement assay d... | 35104640 |
| Serine/threonine-protein kinase N2 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of PKN2 (unknown origin) by TR-FRET-based tracer displacement assay | 35104640 |
| Cell division cycle 7-related protein kinase | IC50 | = | 404.0 | nM | 6.39 | Inhibition of human Cdc7 | 18201066 |
| Serine/threonine-protein kinase N1 | Ki | = | 2200.0 | nM | 5.66 | Inhibition of PKN1 (unknown origin) by TR-FRET-based tracer displacement assay d... | 35104640 |
| Serine/threonine-protein kinase N1 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of PKN1 (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 |
| 18201066 | 10.1021/jm700956r | Cell division cycle 7-related protein kinase | 1 |
| 35104640 | 10.1016/j.bmcl.2022.128588 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine