Compound Detail
CHEMBL4637596
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Basic Information
| ChEMBL ID | CHEMBL4637596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKANCMWBNLSWJW-MGCOHNPYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.36
ALogP
3
HBA
2
HBD
85.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 res... | 32462873 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20... | 32462873 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20... | 32462873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32462873 | 10.1021/acs.jmedchem.0c00359 | Tyrosine-protein kinase JAK1 | 2 |
| 32462873 | 10.1021/acs.jmedchem.0c00359 | Tyrosine-protein kinase JAK2 | 2 |
| 32462873 | 10.1021/acs.jmedchem.0c00359 | No relevant target | 2 |
| 32462873 | 10.1021/acs.jmedchem.0c00359 | Tyrosine-protein kinase JAK3 | 1 |
| 32462873 | 10.1021/acs.jmedchem.0c00359 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine