Compound Detail
CHEMBL1688929
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Basic Information
| ChEMBL ID | CHEMBL1688929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKYAXIWENMQTNC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.82
ALogP
4
HBA
3
HBD
100.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | Ki | 5.6 | 5.6 | 2536.3 | 1 |
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | Ki | = | 2536.3 | nM | 5.6 | Inhibition of C-terminal His6-tagged human Eg5 basal ATPase activity | 21344920 |
| Kinesin-like protein KIF11 | IC50 | = | 14100.0 | nM | 4.85 | Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase act... | 21344920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21344920 | 10.1021/jm100991m | Kinesin-like protein KIF11 | 2 |
Data from ChEMBL 36 via Core Engine