Compound Detail
CHEMBL4568482
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Basic Information
| ChEMBL ID | CHEMBL4568482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHYQLBPRWUNVCN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
1.39
ALogP
9
HBA
1
HBD
99.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 49.0 | nM | 7.31 | Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues... | 31609613 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues... | 31609613 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of recombinant human GST-tagged JAK1 (866 to 1154 residues) expressed... | 31609613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31609613 | 10.1021/acs.jmedchem.9b00533 | Tyrosine-protein kinase JAK3 | 1 |
| 31609613 | 10.1021/acs.jmedchem.9b00533 | Tyrosine-protein kinase JAK2 | 1 |
| 31609613 | 10.1021/acs.jmedchem.9b00533 | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine