Compound Detail
CHEMBL4090883
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4090883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYVMQYSLOHLBEZ-LLVKDONJSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
1.57
ALogP
4
HBA
1
HBD
65.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.75 | 7.1675 | 18.0 | 4 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.94 | 5.525 | 1150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (78... | 28139931 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 18.0 | nM | 7.75 | JAK Caliper Enzyme Assay: Test article was solubilized in dimethyl sulfoxide (DM... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 18.0 | nM | 7.75 | Caliper Enzyme Assay (4 uM ATP): JAK Caliper Enzyme Assay at 4 μM: Test article ... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of recombinant human GST-tagged cytoplasmic JAK1 catalytic domain (86... | 28139931 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 3840.0 | nM | 5.42 | Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (78... | 28139931 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 7820.0 | nM | 5.11 | Inhibition of recombinant human GST-tagged cytoplasmic JAK1 catalytic domain (86... | 28139931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28139931 | 10.1021/acs.jmedchem.6b01694 | Tyrosine-protein kinase JAK3 | 4 |
| 28139931 | 10.1021/acs.jmedchem.6b01694 | Tyrosine-protein kinase JAK1 | 2 |
| 28139931 | 10.1021/acs.jmedchem.6b01694 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 28139931 | 10.1021/acs.jmedchem.6b01694 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine