Compound Detail
CHEMBL218746
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Basic Information
| ChEMBL ID | CHEMBL218746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHZMGOWCNDVVNF-LBPRGKRZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.8
MW (Da)
4.04
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| TF-1 CHEMBL612552 | IC50 | 5.85 | 5.775 | 1400.0 | 2 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.71 | 5.71 | 1928.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of JAK2 | 16934457 |
| TF-1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of IL3-induced proliferation of TF1 cells | 16934457 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 1928.0 | nM | 5.71 | Inhibition of JAK3 | 16934457 |
| TF-1 | IC50 | = | 2010.0 | nM | 5.7 | Inhibition of IL4-induced proliferation of TF1 cells | 16934457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16934457 | 10.1016/j.bmcl.2006.08.022 | TF-1 | 2 |
| 16934457 | 10.1016/j.bmcl.2006.08.022 | Tyrosine-protein kinase JAK3 | 1 |
| 16934457 | 10.1016/j.bmcl.2006.08.022 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine