Compound Detail
CHEMBL2170419
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Basic Information
| ChEMBL ID | CHEMBL2170419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLFRZPJRKJLHGU-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
358.8
MW (Da)
4.45
ALogP
5
HBA
3
HBD
87.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 9.7 | 9.25 | 0.2 | 4 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.37 | 7.37 | 42.9 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 0.2 | nM | 9.7 | Inhibition of Aurora A by 33P minase hotspot assay | 22803810 |
| Aurora kinase A | IC50 | = | 0.8 | nM | 9.1 | Inhibition of Aurora A kinase expressed in Escherichia coli using LRRASLG as sub... | 22803810 |
| Aurora kinase A | IC50 | = | 0.8 | nM | 9.1 | In Vitro Aurora A Activity Assay (DiscoverX): Reactions were carried out at room... | - |
| Aurora kinase A | IC50 | = | 0.8 | nM | 9.1 | Protein Crystallography Inhibitory Activity Assay: Aurora A was exchanged into 5... | - |
| Aurora kinase B | IC50 | = | 42.9 | nM | 7.37 | Inhibition of Aurora B by 33P minase hotspot assay | 22803810 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 91.0 | nM | 7.04 | Inhibition of JAK2 by 33P kinase hotspot assay | 22803810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22803810 | 10.1021/jm300334d | Aurora kinase A | 3 |
| 22803810 | 10.1021/jm300334d | Aurora kinase B | 3 |
| 22803810 | 10.1021/jm300334d | Unchecked | 2 |
| 22803810 | 10.1021/jm300334d | Serine/threonine-protein kinase pim-3 | 1 |
| 22803810 | 10.1021/jm300334d | NUAK family SNF1-like kinase 1 | 1 |
| 22803810 | 10.1021/jm300334d | Glycogen synthase kinase-3 beta | 1 |
| 22803810 | 10.1021/jm300334d | Eukaryotic translation initiation factor 2-alpha kinase 3 | 1 |
| 22803810 | 10.1021/jm300334d | Tyrosine-protein kinase JAK2 | 1 |
| 22803810 | 10.1021/jm300334d | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine