Compound Detail
CHEMBL1243137
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Basic Information
| ChEMBL ID | CHEMBL1243137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIZHRWKYFLKHBC-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
6.68
ALogP
7
HBA
3
HBD
101.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
EC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Aurora kinase A/Targeting protein for Xklp2 CHEMBL3883304 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Aurora kinase B CHEMBL2185 | EC50 | 7.05 | 7.05 | 89.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 17.0 | nM | 7.77 | Inhibition of Aurora B by HTRF assay | 20684549 |
| Aurora kinase A/Targeting protein for Xklp2 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of Aurora A/TPX2 (1-43) by HTRF assay | 20684549 |
| Aurora kinase B | EC50 | = | 89.0 | nM | 7.05 | Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA lev... | 20684549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684549 | 10.1021/jm100394y | Aurora kinase B | 2 |
| 20684549 | 10.1021/jm100394y | Aurora kinase A/Targeting protein for Xklp2 | 1 |
Data from ChEMBL 36 via Core Engine