Compound Detail
CHEMBL463821
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Basic Information
| ChEMBL ID | CHEMBL463821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKYQEWXQVQGDJR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
4.14
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 5.43 | 5.43 | 3694.0 | 1 |
| HFF CHEMBL614071 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.25 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by E... | 21105711 |
| NON-PROTEIN TARGET | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of human IL2-dependent T cell blast proliferation assessed as reducti... | 21105711 |
| T-cell | IC50 | = | 3694.0 | nM | 5.43 | Inhibition of IL2-induced proliferation of human T cells assessed as [3H]thymidi... | 14593182 |
| HFF | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of fetal calf serum-induced proliferation of human foreskin fibroblas... | 14593182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14593182 | 10.1126/science.1087061 | T-cell | 1 |
| 14593182 | 10.1126/science.1087061 | NON-PROTEIN TARGET | 1 |
| 14593182 | 10.1126/science.1087061 | Jurkat | 1 |
| 14593182 | 10.1126/science.1087061 | HFF | 1 |
| 21105711 | 10.1021/jm1004286 | Liver microsomes | 1 |
| 21105711 | 10.1021/jm1004286 | Unchecked | 1 |
| 21105711 | 10.1021/jm1004286 | Tyrosine-protein kinase JAK3 | 1 |
| 21105711 | 10.1021/jm1004286 | NON-PROTEIN TARGET | 1 |
| 21105711 | 10.1021/jm1004286 | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine