Compound Detail
CHEMBL1090508
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1090508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVYZESHCWKLDBS-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.69
ALogP
4
HBA
1
HBD
49.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.23
EC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B/Inner centromere protein CHEMBL3430907 | IC50 | 8.23 | 8.215 | 5.9 | 2 |
| A549 CHEMBL392 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Aurora kinase A/Targeting protein for Xklp2 CHEMBL3883304 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.77 | 6.77 | 169.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.16 | 6.16 | 691.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 139.0 | ng.hr/ml/mg/kg | Rattus norvegicus |
| CL | 86.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 72.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B/Inner centromere protein | IC50 | = | 5.9 | nM | 8.23 | Inhibition of human recombinant aurora B/INCENP complex after 120 mins by IMAP f... | 20335034 |
| Aurora kinase B/Inner centromere protein | IC50 | = | 6.31 | nM | 8.2 | Inhibition of human recombinant aurora B/INCENP complex after 120 mins by IMAP f... | 20335034 |
| A549 | EC50 | = | 24.0 | nM | 7.62 | Cytotoxicity against human A549 cells in presence of 10% human serum | 20335034 |
| Aurora kinase A/Targeting protein for Xklp2 | IC50 | = | 76.0 | nM | 7.12 | Inhibition of human recombinant aurora A/TPX2 complex after 120 mins by IMAP flu... | 20335034 |
| Aurora kinase B | IC50 | = | 169.0 | nM | 6.77 | Inhibition of aurora B assessed as inhibition of histone H3 phosphorylation by E... | 20335034 |
| Trypanosoma brucei brucei | EC50 | = | 691.83 | nM | 6.16 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 at 70 hrs... | 28189084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20335034 | 10.1016/j.bmcl.2010.02.091 | A549 | 6 |
| 20335034 | 10.1016/j.bmcl.2010.02.091 | Rattus norvegicus | 3 |
| 20335034 | 10.1016/j.bmcl.2010.02.091 | Aurora kinase B/Inner centromere protein | 2 |
| 28189084 | 10.1016/j.ejmech.2017.01.040 | Trypanosoma brucei brucei | 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 |
| 28189084 | 10.1016/j.ejmech.2017.01.040 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine