Compound Detail
CHEMBL2322134
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Basic Information
| ChEMBL ID | CHEMBL2322134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWPZNZDBYDEVCY-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
3.26
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
EC50 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | EC50 | 6.43 | 6.43 | 370.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of JAK1 (unknown origin) after 2.5 hrs by time-resolved fluorescence ... | 23265875 |
| Aurora kinase A | IC50 | = | 270.0 | nM | 6.57 | Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluoresce... | 23265875 |
| Tyrosine-protein kinase JAK1 | EC50 | = | 370.0 | nM | 6.43 | Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent ST... | 23265875 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 890.0 | nM | 6.05 | Inhibition of FLT3 (unknown origin) after 2.5 hrs by time-resolved fluorescence ... | 23265875 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 910.0 | nM | 6.04 | Inhibition of KDR (unknown origin) after 2.5 hrs by time-resolved fluorescence r... | 23265875 |
| Tyrosine-protein kinase JAK2 | EC50 | = | 2800.0 | nM | 5.55 | Inhibition of JAK2 in human UT7 cells assessed as inhibition of Epo-dependent ST... | 23265875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23265875 | 10.1016/j.bmcl.2012.11.108 | Tyrosine-protein kinase JAK1 | 2 |
| 23265875 | 10.1016/j.bmcl.2012.11.108 | Unchecked | 1 |
| 23265875 | 10.1016/j.bmcl.2012.11.108 | Tyrosine-protein kinase JAK2 | 1 |
| 23265875 | 10.1016/j.bmcl.2012.11.108 | Vascular endothelial growth factor receptor 2 | 1 |
| 23265875 | 10.1016/j.bmcl.2012.11.108 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 23265875 | 10.1016/j.bmcl.2012.11.108 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine