Compound Detail
CHEMBL4083165
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Basic Information
| ChEMBL ID | CHEMBL4083165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLEIEKFWPCPLKE-ZYHUDNBSSA-N |
1
Targets
5
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
1.79
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.72 | 5.76 | 189.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.367 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 189.0 | nM | 6.72 | JAK Caliper Enzyme Assay: Test article was solubilized in dimethyl sulfoxide (DM... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 189.0 | nM | 6.72 | Caliper Enzyme Assay (4 uM ATP): JAK Caliper Enzyme Assay at 4 μM: Test article ... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 7570.0 | nM | 5.12 | Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (78... | 28139931 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 7570.0 | nM | 5.12 | JAK Caliper Enzyme Assay: Test article was solubilized in dimethyl sulfoxide (DM... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 7570.0 | nM | 5.12 | Caliper Enzyme Assay (4 mM ATP): JAK Caliper Enzyme Assay at 1 mM ATP: Test arti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28139931 | 10.1021/acs.jmedchem.6b01694 | Tyrosine-protein kinase JAK3 | 1 |
| 28139931 | 10.1021/acs.jmedchem.6b01694 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine