Compound Detail
CHEMBL4476770
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 | CHEMBL4476770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEDPDFHTQKEORT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
3.45
ALogP
6
HBA
2
HBD
110.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 0.6 | nM | 9.22 | Inhibition of TYK2 in human Jurkat cells assessed as reduction in IFN-alpha stim... | 30530193 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of JAK1 in human Jurkat cells assessed as reduction in IFN-alpha stim... | 30530193 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of JAK2 in human Jurkat cells assessed as reduction in IFN-alpha stim... | 30530193 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of JAK3 in human Jurkat cells assessed as reduction in IFN-alpha stim... | 30530193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | Tyrosine-protein kinase JAK3 | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | Tyrosine-protein kinase JAK2 | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | Tyrosine-protein kinase JAK1 | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine