Compound Detail
CHEMBL207601
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Basic Information
| ChEMBL ID | CHEMBL207601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NASQRBQSAKKUEF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.9
MW (Da)
4.59
ALogP
1
HBA
0
HBD
23.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 5.46 | 5.46 | 3480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 3020.0 | nM | 5.52 | Antiproliferative activity against human A2780 cells | 16458511 |
| Kinesin-like protein KIF11 | IC50 | = | 3480.0 | nM | 5.46 | Inhibition of Eg5 by ATPase assay | 16458511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16458511 | 10.1016/j.bmcl.2006.01.056 | Kinesin-like protein KIF11 | 1 |
| 16458511 | 10.1016/j.bmcl.2006.01.056 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine