Compound Detail
CHEMBL6045084
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Basic Information
| ChEMBL ID | CHEMBL6045084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUTDFGMOFFTXIQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.01
ALogP
7
HBA
2
HBD
89.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 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 | 8.61 | 2.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 5.98 | 5.98 | 1040.0 | 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 | = | 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 | = | 3.0 | nM | 8.52 | Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... | - |
| Glycogen synthase kinase-3 beta | EC50 | = | 1040.0 | nM | 5.98 | Kinase Assay: Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are ... | - |
Data from ChEMBL 36 via Core Engine