Compound Detail
CHEMBL4565054
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 | CHEMBL4565054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADUVYCIENFVLEM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
3.58
ALogP
9
HBA
3
HBD
118.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| JAK1/TYK2 CHEMBL3301391 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL2321619 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| JAK1/TYK2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT p... | 31318208 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 87.0 | nM | 7.06 | Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced... | 31318208 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced... | 31318208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31318208 | 10.1021/acs.jmedchem.9b00444 | Non-receptor tyrosine-protein kinase TYK2 | 2 |
| 31318208 | 10.1021/acs.jmedchem.9b00444 | JAK1/TYK2 | 1 |
| 31318208 | 10.1021/acs.jmedchem.9b00444 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine