Compound Detail
CHEMBL412251
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 | CHEMBL412251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYNSTRCJYLZSGY-FQEVSTJZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
4.26
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.81
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| HeLa CHEMBL399 | EC50 | 5.81 | 5.81 | 1550.0 | 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 |
| HeLa | EC50 | = | 1550.0 | nM | 5.81 | Induction of mitotic arrest in human HeLa cells assessed as monoastral spindle f... | 18266314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18266314 | 10.1021/jm070606z | HeLa | 3 |
| 18266314 | 10.1021/jm070606z | Kinesin-like protein KIF11 | 1 |
Data from ChEMBL 36 via Core Engine