Compound Detail
CHEMBL3823505
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Basic Information
| ChEMBL ID | CHEMBL3823505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTMYPIWEXZOFDM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
1.76
ALogP
4
HBA
1
HBD
64.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Casein kinase I delta/epsilon CHEMBL3038494 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.1 | 6.1 | 800.0 | 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 | = | 180.0 | nM | 6.75 | Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli us... | 27128181 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 180.0 | nM | 6.75 | Inhibition of DYRK1A (unknown origin) | 34742016 |
| Dual specificity protein kinase CLK1 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli us... | 27128181 |
| Unchecked | IC50 | = | 800.0 | nM | 6.1 | Inhibition of porcine brain CK1 delta/epsilon using CK-S as substrate incubated ... | 27128181 |
| Casein kinase I delta/epsilon | IC50 | = | 800.0 | nM | 6.1 | Inhibition of CK1delta/epsilon (unknown origin) | 34742016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Glycogen synthase kinase-3 | 1 |
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Unchecked | 1 |
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Dual specificity protein kinase CLK1 | 1 |
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Casein kinase I delta/epsilon | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Cyclin-dependent kinase 5 | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine