Compound Detail
CHEMBL5569603
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Basic Information
| ChEMBL ID | CHEMBL5569603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUQUBDXLGAPBGS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
3.55
ALogP
9
HBA
2
HBD
96.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myosin light chain kinase family member 4 CHEMBL5426 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3833 | hr | Homo sapiens |
| T1/2 | 1.667 | 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 | = | 6.0 | nM | 8.22 | Inhibition of MYLK4 (unknown origin) in presence of ATP | 38894933 |
| Serine/threonine-protein kinase 17A | IC50 | = | 20.0 | nM | 7.7 | 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