Compound Detail
CHEMBL5440264
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Basic Information
| ChEMBL ID | CHEMBL5440264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQOJBQCMVKERQX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.9
MW (Da)
3.62
ALogP
6
HBA
2
HBD
93.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| JAK2/TYK2 CHEMBL3301392 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of human recombinant TYK2 preincubated for 15 mins followed by substr... | 36951608 |
| JAK2/TYK2 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of JAK2/TYK2 signal transduction pathway in human NK92 cells assessed... | 36951608 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human recombinant JAK2 preincubated for 15 mins followed by substr... | 36951608 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human recombinant JAK3 preincubated for 15 mins followed by substr... | 36951608 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of human recombinant JAK1 preincubated for 15 mins followed by substr... | 36951608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Tyrosine-protein kinase JAK1 | 1 |
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Tyrosine-protein kinase JAK2 | 1 |
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Tyrosine-protein kinase JAK3 | 1 |
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 36951608 | 10.1021/acs.jmedchem.2c01800 | JAK2/TYK2 | 1 |
Data from ChEMBL 36 via Core Engine