Compound Detail
CHEMBL3421970
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Basic Information
| ChEMBL ID | CHEMBL3421970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUSBGYZKUCMHQQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.83
ALogP
7
HBA
2
HBD
82.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 8.3 | 7.69 | 5.0 | 2 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 4.76 | 4.76 | 17368.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 38.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | - | % | 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 | = | 5.0 | nM | 8.3 | Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe... | 25738750 |
| Insulin-like growth factor 1 receptor | IC50 | = | 51.0 | nM | 7.29 | Inhibition of human recombinant N-terminal His6-tagged IGF-1R using fluorescence... | 25738750 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 83.0 | nM | 7.08 | Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation o... | 25738750 |
| Cyclin-dependent kinase 2 | IC50 | = | 17368.0 | nM | 4.76 | 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 | Insulin-like growth factor 1 receptor | 1 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Cyclin-dependent kinase 2 | 1 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Hepatocyte | 1 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Plasma | 1 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine