Compound Detail
CHEMBL38043
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Basic Information
| ChEMBL ID | CHEMBL38043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLTKBDZXXGQCSC-TWGQIWQCSA-N |
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
15
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
0.88
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 39.81 | uL.min-1.(10^6cells)-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain e... | 26896709 |
| Dual specificity protein kinase CLK1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 res... | 26896709 |
| Glycogen synthase kinase-3 beta | IC50 | = | 14100.0 | nM | 4.85 | Inhibition of recombinant GSK3-beta by ELISA | 19616957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22077389 | 10.1021/jm201243p | Unchecked | 3 |
| 14998338 | 10.1021/jm030450c | Mus musculus | 2 |
| 19616957 | 10.1016/j.bmc.2009.06.054 | Glycogen synthase kinase-3 beta | 1 |
| 19904929 | 10.1021/jm901183d | RAW264.7 | 1 |
| 22077389 | 10.1021/jm201243p | Prothrombin | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Epidermal growth factor receptor | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Dual specificity protein kinase CLK1 | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Casein kinase II | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Protein kinase C beta type | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | No relevant target | 1 |
| 34826680 | 10.1016/j.bmc.2021.116518 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine