Compound Detail
CHEMBL1090832
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Basic Information
| ChEMBL ID | CHEMBL1090832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWJHWNIFEWOQTF-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.9
MW (Da)
4.35
ALogP
4
HBA
1
HBD
49.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.21
EC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B/Inner centromere protein CHEMBL3430907 | IC50 | 9.21 | 9.205 | 0.6 | 2 |
| Aurora kinase A/Targeting protein for Xklp2 CHEMBL3883304 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| A549 CHEMBL392 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B/Inner centromere protein | IC50 | = | 0.61 | nM | 9.21 | Inhibition of human recombinant aurora B/INCENP complex after 120 mins by IMAP f... | 20335034 |
| Aurora kinase B/Inner centromere protein | IC50 | = | 0.631 | nM | 9.2 | Inhibition of human recombinant aurora B/INCENP complex after 120 mins by IMAP f... | 20335034 |
| Aurora kinase A/Targeting protein for Xklp2 | IC50 | = | 7.9 | nM | 8.1 | Inhibition of human recombinant aurora A/TPX2 complex after 120 mins by IMAP flu... | 20335034 |
| Aurora kinase B | IC50 | = | 9.0 | nM | 8.05 | Inhibition of aurora B assessed as inhibition of histone H3 phosphorylation by E... | 20335034 |
| A549 | EC50 | = | 13.0 | nM | 7.89 | Cytotoxicity against human A549 cells in presence of 10% human serum | 20335034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20335034 | 10.1016/j.bmcl.2010.02.091 | A549 | 8 |
| 20335034 | 10.1016/j.bmcl.2010.02.091 | Aurora kinase B/Inner centromere protein | 2 |
| 20335034 | 10.1016/j.bmcl.2010.02.091 | Aurora kinase A/Targeting protein for Xklp2 | 1 |
| 20335034 | 10.1016/j.bmcl.2010.02.091 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine