Compound Detail
CHEMBL411111
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Basic Information
| ChEMBL ID | CHEMBL411111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWCIZQDYPYCAPN-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.41
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | Ki | = | 13000.0 | nM | 4.89 | Inhibition of human Eg5 basal ATPase activity | 18266314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18266314 | 10.1021/jm070606z | HeLa | 1 |
| 18266314 | 10.1021/jm070606z | Kinesin-like protein KIF11 | 1 |
Data from ChEMBL 36 via Core Engine