Compound Detail
CHEMBL6040830
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Basic Information
| ChEMBL ID | CHEMBL6040830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXMVLBATMDXIDB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
3.78
ALogP
8
HBA
1
HBD
88.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 6.2 | 6.2 | 628.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 6.0 | nM | 8.22 | Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... | - |
| Glycogen synthase kinase-3 beta | EC50 | = | 628.0 | nM | 6.2 | Kinase Assay: Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are ... | - |
Data from ChEMBL 36 via Core Engine