Compound Detail
CHEMBL5276146
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Basic Information
| ChEMBL ID | CHEMBL5276146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWSQKAWHFBAQTA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
2.74
ALogP
4
HBA
2
HBD
95.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 25 CHEMBL5552 | IC50 | 6.68 | 6.66 | 211.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 145.0 | mL.min-1.g-1 | Mus musculus |
| CL | 75.0 | mL.min-1.g-1 | Homo sapiens |
| Fu | 0.26 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 25 | IC50 | = | 211.0 | nM | 6.68 | Inhibition of STK25 (unknown origin) by cellular target engagement assay | 36030002 |
| Serine/threonine-protein kinase 25 | IC50 | = | 228.0 | nM | 6.64 | Inhibition of STK25 (unknown origin) by FRET assay | 36030002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36030002 | 10.1016/j.bmcl.2022.128950 | ADMET | 5 |
| 36030002 | 10.1016/j.bmcl.2022.128950 | Serine/threonine-protein kinase 25 | 2 |
| 36030002 | 10.1016/j.bmcl.2022.128950 | HepG2 | 1 |
| 36030002 | 10.1016/j.bmcl.2022.128950 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine