Compound Detail
CHEMBL392146
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CC1=C(C(=O)OCCOCCOC(=O)C2=C(C)NC(=S)NC2c2cccc(O)c2)C(c2cccc(O)c2)NC(=S)N1
Basic Information
| ChEMBL ID | CHEMBL392146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMRPXISJBOKUOU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
598.7
MW (Da)
2.49
ALogP
9
HBA
6
HBD
150.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 5.0 | 4.81 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs | 17587586 |
| Kinesin-like protein KIF11 | IC50 | = | 24000.0 | nM | 4.62 | 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 |
Data from ChEMBL 36 via Core Engine