Compound Detail
CHEMBL470119
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Basic Information
| ChEMBL ID | CHEMBL470119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUVKIGKEIWFBJL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.46
ALogP
8
HBA
3
HBD
101.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.8
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | EC50 | 7.8 | 7.635 | 16.0 | 2 |
| Aurora kinase A CHEMBL4722 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | EC50 | = | 16.0 | nM | 7.8 | Cell cycle arrest in human HCT116 cells assessed as accumulation of 4N DNA phase... | 18678489 |
| HCT-116 | EC50 | = | 34.0 | nM | 7.47 | Antiproliferative activity against human HCT116 cells assessed as BrdU incorpora... | 18678489 |
| Aurora kinase A | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Aurora A by radiometric assay | 18678489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18678489 | 10.1016/j.bmcl.2008.07.073 | HCT-116 | 2 |
| 18678489 | 10.1016/j.bmcl.2008.07.073 | Aurora kinase A | 1 |
| 18678489 | 10.1016/j.bmcl.2008.07.073 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine