Compound Detail
CHEMBL221912
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Basic Information
| ChEMBL ID | CHEMBL221912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAMXIOXHEJUOEK-NSHDSACASA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
2.13
ALogP
7
HBA
1
HBD
88.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| TF-1 CHEMBL612552 | IC50 | 7.05 | 6.705 | 90.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.91 | 6.91 | 124.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of JAK3 | 16934457 |
| TF-1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of IL4-induced proliferation of TF1 cells | 16934457 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 124.0 | nM | 6.91 | Inhibition of JAK2 | 16934457 |
| TF-1 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of IL3-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 |
| 16934457 | 10.1016/j.bmcl.2006.08.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine