Compound Detail
CHEMBL2204239
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Basic Information
| ChEMBL ID | CHEMBL2204239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWOYIOLMBQSTQS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
5.03
ALogP
4
HBA
2
HBD
74.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 33 CHEMBL6005 | IC50 | 7.85 | 7.85 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 33 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using m... | 23256033 |
| Serine/threonine-protein kinase 33 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of recombinant STK33 (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23256033 | 10.1021/ml300246r | NON-PROTEIN TARGET | 7 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 23256033 | 10.1021/ml300246r | Plasma | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Unchecked | 2 |
| 23256033 | 10.1021/ml300246r | Unchecked | 2 |
| 23256033 | 10.1021/ml300246r | Serine/threonine-protein kinase 33 | 2 |
| 23256033 | 10.1021/ml300246r | SKM-1 | 1 |
| 23256033 | 10.1021/ml300246r | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 23256033 | 10.1021/ml300246r | Vascular endothelial growth factor receptor 2 | 1 |
| 23256033 | 10.1021/ml300246r | NOMO-1 | 1 |
| 23256033 | 10.1021/ml300246r | MDA-MB-231 | 1 |
| 23256033 | 10.1021/ml300246r | NB-4 | 1 |
| 23256033 | 10.1021/ml300246r | RPMI-8226 | 1 |
| 23256033 | 10.1021/ml300246r | EOL1 | 1 |
| 23256033 | 10.1021/ml300246r | GDM-1 | 1 |
| 23256033 | 10.1021/ml300246r | U-937 | 1 |
| 23256033 | 10.1021/ml300246r | Jurkat | 1 |
| 23256033 | 10.1021/ml300246r | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine