Compound Detail
CHEMBL3689518
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Basic Information
| ChEMBL ID | CHEMBL3689518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOWWYYZBZNSPDT-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
1.30
ALogP
5
HBA
1
HBD
88.9
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.15 | 7.4775 | 7.1 | 4 |
| T-cell CHEMBL614309 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 2.1 | nM | 8.68 | Inhibition Assay: In the kinase reactions, fused proteins (6His tag-fused hJAK2 ... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 7.1 | nM | 8.15 | Inhibition Assay: In the kinase reactions, fused proteins (6His tag-fused hJAK3 ... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 21.0 | nM | 7.68 | Inhibition Assay: In the kinase reactions, fused proteins (6His tag-fused hJAK3 ... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected... | 32511913 |
| T-cell | IC50 | = | 39.0 | nM | 7.41 | Inhibition of IL2-induced human T cell proliferation preincubated for 30 mins fo... | 32511913 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 400.0 | nM | 6.4 | Inhibition Assay: In the kinase reactions, fused proteins (6His tag-fused hJAK3 ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32511913 | 10.1021/acs.jmedchem.0c00450 | Tyrosine-protein kinase JAK3 | 1 |
| 32511913 | 10.1021/acs.jmedchem.0c00450 | Tyrosine-protein kinase Lck | 1 |
| 32511913 | 10.1021/acs.jmedchem.0c00450 | T-cell | 1 |
Data from ChEMBL 36 via Core Engine