Compound Detail
CHEMBL4645636
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Basic Information
| ChEMBL ID | CHEMBL4645636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVDXXLOGIBGQMO-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
1.73
ALogP
4
HBA
2
HBD
93.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.86
Ki 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | IC50 | 4.86 | 4.86 | 13790.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | Ki | 4.52 | 4.52 | 30230.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | IC50 | 4.21 | 4.21 | 61590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 | Ki | = | 6900.0 | nM | 5.16 | Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N2 | IC50 | = | 13790.0 | nM | 4.86 | Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N1 | Ki | = | 30230.0 | nM | 4.52 | Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N1 | IC50 | = | 61590.0 | nM | 4.21 | 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