Compound Detail
CHEMBL5542886
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5542886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYXDPPSAURJUIH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
3.84
ALogP
8
HBA
2
HBD
82.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myosin light chain kinase family member 4 CHEMBL5426 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.667 | hr | Homo sapiens |
| T1/2 | 0.15 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myosin light chain kinase family member 4 | IC50 | = | 27.0 | nM | 7.57 | Inhibition of MYLK4 (unknown origin) in presence of ATP | 38894933 |
| Serine/threonine-protein kinase 17A | IC50 | = | 55.0 | nM | 7.26 | Inhibition of STK17A (unknown origin) in presence of ATP | 38894933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38894933 | 10.1021/acsmedchemlett.4c00125 | ADMET | 2 |
| 38894933 | 10.1021/acsmedchemlett.4c00125 | Serine/threonine-protein kinase 17A | 1 |
| 38894933 | 10.1021/acsmedchemlett.4c00125 | Myosin light chain kinase family member 4 | 1 |
| 38894933 | 10.1021/acsmedchemlett.4c00125 | Dual specificity protein kinase CLK4 | 1 |
| 38894933 | 10.1021/acsmedchemlett.4c00125 | Cytochrome P450 1A2 | 1 |
| 38894933 | 10.1021/acsmedchemlett.4c00125 | Cytochrome P450 2C9 | 1 |
| 38894933 | 10.1021/acsmedchemlett.4c00125 | Cytochrome P450 2D6 | 1 |
| 38894933 | 10.1021/acsmedchemlett.4c00125 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine