Compound Detail
CHEMBL259257
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Basic Information
| ChEMBL ID | CHEMBL259257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJEZILVMRUAWJY-KRWDZBQOSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
3.73
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.82
EC50 1 meas. best 5.97
IC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | Ki | 6.82 | 6.79 | 150.0 | 2 |
| HeLa CHEMBL399 | EC50 | 5.97 | 5.97 | 1080.0 | 1 |
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 5.94 | 5.94 | 1152.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | Ki | = | 150.0 | nM | 6.82 | Inhibition of human Eg5 basal ATPase activity | 18266314 |
| Kinesin-like protein KIF11 | Ki | = | 174.5 | nM | 6.76 | Inhibition of C-terminal His6-tagged human Eg5 basal ATPase activity | 21344920 |
| HeLa | EC50 | = | 1080.0 | nM | 5.97 | Induction of mitotic arrest in human HeLa cells assessed as monoastral spindle f... | 18266314 |
| Kinesin-like protein KIF11 | IC50 | = | 1152.6 | nM | 5.94 | Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase act... | 21344920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18266314 | 10.1021/jm070606z | HeLa | 3 |
| 21344920 | 10.1021/jm100991m | Kinesin-like protein KIF11 | 2 |
| 22280819 | 10.1016/j.ejmech.2012.01.010 | Hepatitis C virus | 2 |
| 18266314 | 10.1021/jm070606z | Kinesin-like protein KIF11 | 1 |
Data from ChEMBL 36 via Core Engine