Compound Detail
CHEMBL401006
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Basic Information
| ChEMBL ID | CHEMBL401006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTTXOVQPTVWBOC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
3.18
ALogP
6
HBA
0
HBD
70.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.86
IC50 1 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 7.78 | 7.78 | 16.5 | 1 |
| Kinesin-like protein KIF11 CHEMBL4581 | EC50 | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 16.5 | nM | 7.78 | Inhibition of kinesin spindle protein by ATPase assay | 17766111 |
| Kinesin-like protein KIF11 | EC50 | = | 138.0 | nM | 6.86 | Inhibition of KSP-induced nucleolin phosphorylation in cell-based mitotic arrest... | 17766111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17766111 | 10.1016/j.bmcl.2007.07.074 | Kinesin-like protein KIF11 | 2 |
Data from ChEMBL 36 via Core Engine