Compound Detail
CHEMBL5082456
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 | CHEMBL5082456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTTSIVMHWLTUFK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
2.77
ALogP
6
HBA
2
HBD
95.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| 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 1A CHEMBL2292 | IC50 | 8.7 | 7.85 | 2.0 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 5.91 | 5.91 | 1244.0 | 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 | = | 2.0 | nM | 8.7 | Inhibition of DYRK1A (unknown origin) using Ulight-MBP as substrate and ATP as c... | 33975430 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 100.0 | nM | 7.0 | Inhibition of wild type full length DYRK1A (unknown origin) in human U2OS cells ... | 33975430 |
| Cyclin-dependent kinase 9 | IC50 | = | 1244.0 | nM | 5.91 | Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-... | 33975430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33975430 | 10.1021/acs.jmedchem.1c00023 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 33975430 | 10.1021/acs.jmedchem.1c00023 | Cyclin-dependent kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine