Compound Detail
CHEMBL4168671
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 | CHEMBL4168671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYWMWKFIDRIEPP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
3.58
ALogP
9
HBA
3
HBD
112.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Ki 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 6.24 | 6.24 | 575.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Ki | = | 575.0 | nM | 6.24 | Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regener... | 30095246 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regener... | 30095246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30095246 | 10.1021/acs.jmedchem.7b01847 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 5 |
| 30095246 | 10.1021/acs.jmedchem.7b01847 | Dual specificity protein kinase CLK2 | 1 |
Data from ChEMBL 36 via Core Engine