Compound Detail
CHEMBL4646744
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Basic Information
| ChEMBL ID | CHEMBL4646744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMACQEDRXGKRBA-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
2.53
ALogP
4
HBA
1
HBD
84.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Ki 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 5.9 | 5.9 | 1250.0 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | Ki | 4.54 | 4.54 | 28930.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | IC50 | 4.23 | 4.23 | 58940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 | Ki | = | 1250.0 | nM | 5.9 | Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N2 | IC50 | = | 2500.0 | nM | 5.6 | Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N1 | Ki | = | 28930.0 | nM | 4.54 | Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N1 | IC50 | = | 58940.0 | nM | 4.23 | Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay | 32085971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine