Compound Detail
CHEMBL436920
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N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL436920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFTUGVQFOKWUOS-YTTGMZPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
7.37
ALogP
4
HBA
1
HBD
52.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | Ki | = | 7000.0 | nM | 5.16 | Inhibition of human Eg5 basal ATPase activity | 18266314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18266314 | 10.1021/jm070606z | HeLa | 1 |
| 18266314 | 10.1021/jm070606z | Kinesin-like protein KIF11 | 1 |
Data from ChEMBL 36 via Core Engine