Compound Detail
CHEMBL1947117
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Basic Information
| ChEMBL ID | CHEMBL1947117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQTQLFDWUMBMEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.2
MW (Da)
2.86
ALogP
5
HBA
2
HBD
84.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli us... | 22305342 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human recombinant CDK5/p25 using [gamma-33P]ATP after 30 mins by s... | 22305342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22305342 | 10.1016/j.ejmech.2012.01.040 | Glycogen synthase kinase-3 | 1 |
| 22305342 | 10.1016/j.ejmech.2012.01.040 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 22305342 | 10.1016/j.ejmech.2012.01.040 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine