Compound Detail
CHEMBL1504776
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Basic Information
| ChEMBL ID | CHEMBL1504776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQJWTJLJEYIUDZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
396.9
MW (Da)
4.68
ALogP
4
HBA
1
HBD
54.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase D2 CHEMBL4900 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Serine/threonine-protein kinase D3 CHEMBL2595 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Serine/threonine-protein kinase D1 CHEMBL3863 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase D2 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of PKD2 (unknown origin) | 36538005 |
| Serine/threonine-protein kinase D3 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of PKD3 (unknown origin) | 36538005 |
| Serine/threonine-protein kinase D1 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of PKD1 (unknown origin) | 36538005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Unchecked | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Serine/threonine-protein kinase D1 | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Serine/threonine-protein kinase D2 | 1 |
| 36538005 | 10.1021/acs.jmedchem.2c01599 | Serine/threonine-protein kinase D3 | 1 |
Data from ChEMBL 36 via Core Engine