Compound Detail
CHEMBL397799
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Basic Information
| ChEMBL ID | CHEMBL397799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEJFCUAXLCTSMK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
1.27
ALogP
3
HBA
4
HBD
81.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 4.5 | 4.32 | 32000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs | 17587586 |
| Kinesin-like protein KIF11 | IC50 | = | 72200.0 | nM | 4.14 | Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichi... | 17587586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17587586 | 10.1016/j.bmc.2007.06.016 | HeLa | 3 |
| 17587586 | 10.1016/j.bmc.2007.06.016 | Kinesin-like protein KIF11 | 2 |
| 28683403 | 10.1016/j.ejmech.2017.06.024 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine