Compound Detail
CHEMBL5812391
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Basic Information
| ChEMBL ID | CHEMBL5812391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHVTZIMLPJCMHX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.58
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.7 | 8.35 | 2.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 6.19 | 5.97 | 652.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 2.0 | nM | 8.7 | Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 10.0 | nM | 8.0 | Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... | - |
| Glycogen synthase kinase-3 beta | EC50 | = | 652.0 | nM | 6.19 | Kinase Assay : The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte... | - |
| Glycogen synthase kinase-3 beta | EC50 | = | 1798.0 | nM | 5.75 | Kinase Assay : The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte... | - |
Data from ChEMBL 36 via Core Engine