Compound Detail
CHEMBL5413306
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Basic Information
| ChEMBL ID | CHEMBL5413306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPHRPHMHAOPRTH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
4.22
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase D1 CHEMBL3863 | IC50 | 7.8 | 6.81 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase D1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of PKD1 (unknown origin) | 36538005 |
| Serine/threonine-protein kinase D1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of PKD1 autophosphorylation at S916 residue in human LNCaP cells | 36538005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Serine/threonine-protein kinase D1 | 3 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Mitogen-activated protein kinase 14 | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Mitogen-activated protein kinase 11 | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Mitogen-activated protein kinase 8 | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Mitogen-activated protein kinase 9 | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Serine/threonine-protein kinase 36 | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Citron Rho-interacting kinase | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Casein kinase I isoform epsilon | 1 |
Data from ChEMBL 36 via Core Engine