Compound Detail
CHEMBL5419827
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Basic Information
| ChEMBL ID | CHEMBL5419827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBDRAUPLGHAFCU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
4.84
ALogP
5
HBA
2
HBD
80.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase D1 CHEMBL3863 | IC50 | 9.0 | 7.09 | 1.0 | 2 |
| Serine/threonine-protein kinase D3 CHEMBL2595 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase D1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PKD1 (unknown origin) | 36538005 |
| Serine/threonine-protein kinase D3 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of PKD3 (unknown origin) | 36538005 |
| Serine/threonine-protein kinase D2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of PKD2 (unknown origin) | 36538005 |
| Serine/threonine-protein kinase D1 | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of PKD1 autophosphorylation at S916 residue in human PANC-1 cells | 36538005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Serine/threonine-protein kinase D1 | 2 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Serine/threonine-protein kinase D2 | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Serine/threonine-protein kinase D3 | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Protein-tyrosine kinase 6 | 1 |
Data from ChEMBL 36 via Core Engine