Compound Detail
CHEMBL5075321
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
Cc1[nH]c2ncc3cc2c1-c1cn(nc1C(F)(F)F)CCCC(=O)N(C)Cc1nn(C)c(C#N)c1-3
Basic Information
| ChEMBL ID | CHEMBL5075321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNPDDWGYJIGNTR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
3.78
ALogP
7
HBA
1
HBD
108.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 7.26 | 7.26 | 55.0 | 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 | = | 44.0 | nM | 7.36 | Inhibition of DYRK1A (unknown origin) measured after 6 hrs in presence of ATP by... | 35450378 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 55.0 | nM | 7.26 | Inhibition of DYRK1B (unknown origin) measured after 6 hrs in presence of ATP by... | 35450378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35450378 | 10.1021/acsmedchemlett.1c00630 | CAL-27 | 6 |
| 35450378 | 10.1021/acsmedchemlett.1c00630 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 35450378 | 10.1021/acsmedchemlett.1c00630 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
Data from ChEMBL 36 via Core Engine