Compound Detail
CHEMBL3421962
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3421962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGLSXXJUCASPKK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.52
ALogP
6
HBA
2
HBD
73.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 8.7 | 7.52 | 2.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.24 | 6.24 | 577.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 179.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe... | 25738750 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 453.0 | nM | 6.34 | Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation o... | 25738750 |
| Cyclin-dependent kinase 2 | IC50 | = | 577.0 | nM | 6.24 | Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expresse... | 25738750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 2 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Cyclin-dependent kinase 2 | 1 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Insulin-like growth factor 1 receptor | 1 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Hepatocyte | 1 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine