Compound Detail
CHEMBL238076
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Basic Information
| ChEMBL ID | CHEMBL238076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQOSFISDSBCWNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
1.97
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of Eg5 ATPase activity expressed in HeLa cells after 12 hrs | 17587586 |
| HeLa | IC50 | = | 50000.0 | nM | 4.3 | Induction of monoastral spindles in HeLa cells after 7 hrs | 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 | 3 |
Data from ChEMBL 36 via Core Engine