Compound Detail
CHEMBL5278077
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Basic Information
| ChEMBL ID | CHEMBL5278077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBAUSYCHSXHDOA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
3.20
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 5.4 | nM | 8.27 | Inhibition of Aurora A (unknown origin) | 32693295 |
| Aurora kinase B | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Aurora B (unknown origin) | 32693295 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of JAK2 (unknown origin) | 32693295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32693295 | 10.1016/j.ejmech.2020.112498 | Aurora kinase A | 1 |
| 32693295 | 10.1016/j.ejmech.2020.112498 | Aurora kinase B | 1 |
| 32693295 | 10.1016/j.ejmech.2020.112498 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine