Compound Detail
CHEMBL4878325
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Basic Information
| ChEMBL ID | CHEMBL4878325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYZXUVGUIAUXBT-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.2
MW (Da)
2.81
ALogP
5
HBA
2
HBD
91.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Ki 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| STE20-like serine/threonine-protein kinase CHEMBL4202 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Serine/threonine-protein kinase 10 CHEMBL3981 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Serine/threonine-protein kinase 10 CHEMBL3981 | IC50 | 7.22 | 6.29 | 60.0 | 2 |
| STE20-like serine/threonine-protein kinase CHEMBL4202 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| STE20-like serine/threonine-protein kinase | Ki | = | 3.9 | nM | 8.41 | Binding affinity human SLK by binding displacement assay | 34463505 |
| Serine/threonine-protein kinase 10 | Ki | = | 35.0 | nM | 7.46 | Binding affinity human STK10 by binding displacement assay | 34463505 |
| Serine/threonine-protein kinase 10 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of STK10 (unknown origin) expressed in Sf9 cells assessed as transfer... | 34463505 |
| Serine/threonine-protein kinase 10 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of biotinylated full-length STK10 expressed in Escherichia coli DH10B... | 34463505 |
| STE20-like serine/threonine-protein kinase | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of NanoLuc-fused SLK (unknown origin) expressed in HEK293T cells afte... | 34463505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Serine/threonine-protein kinase 10 | 3 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | STE20-like serine/threonine-protein kinase | 2 |
| 34463505 | 10.1021/acs.jmedchem.0c01579 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine