Compound Detail
CHEMBL3421978
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Basic Information
| ChEMBL ID | CHEMBL3421978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSUYSUSCBUXMBR-VOTSOKGWSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
4.19
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 8.15 | 7.435 | 7.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.29 | 5.29 | 5176.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 4.33 | 4.33 | 46942.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 7.0 | nM | 8.15 | Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe... | 25738750 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 192.0 | nM | 6.72 | Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation o... | 25738750 |
| Cyclin-dependent kinase 2 | IC50 | = | 5176.0 | nM | 5.29 | Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expresse... | 25738750 |
| Insulin-like growth factor 1 receptor | IC50 | = | 46942.0 | nM | 4.33 | Inhibition of human recombinant N-terminal His6-tagged IGF-1R using fluorescence... | 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 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine