Compound Detail
CHEMBL3693599
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Basic Information
| ChEMBL ID | CHEMBL3693599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZMFRSIFZYFUHP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
1.63
ALogP
5
HBA
2
HBD
100.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| T-cell CHEMBL614309 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition Assay: In the kinase reactions, fused proteins (6His tag-fused hJAK3 ... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected... | 32511913 |
| T-cell | IC50 | = | 220.0 | nM | 6.66 | Inhibition of IL2-induced human T cell proliferation preincubated for 30 mins fo... | 32511913 |
| Tyrosine-protein kinase Lck | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of N-terminal His6-tagged recombinant full-length human Lck using TK-... | 32511913 |
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 |
| 32511913 | 10.1021/acs.jmedchem.0c00450 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine