Compound Detail
CHEMBL1688920
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Basic Information
| ChEMBL ID | CHEMBL1688920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHASTEVBLRFHJB-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
4.85
ALogP
4
HBA
2
HBD
63.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 7.66 | 7.66 | 21.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 21.8 | nM | 7.66 | Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase act... | 21344920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21344920 | 10.1021/jm100991m | NON-PROTEIN TARGET | 6 |
| 21344920 | 10.1021/jm100991m | LLC-PK1 | 3 |
| 21344920 | 10.1021/jm100991m | Kinesin-like protein KIF11 | 2 |
| 22280819 | 10.1016/j.ejmech.2012.01.010 | Hepatitis C virus | 2 |
| 21344920 | 10.1021/jm100991m | MDCK-II | 1 |
Data from ChEMBL 36 via Core Engine