Compound Detail
CHEMBL429553
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Basic Information
| ChEMBL ID | CHEMBL429553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRVUIEVIMFOBHX-JTHBVZDNSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
4.15
ALogP
5
HBA
0
HBD
45.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
EC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| A2780 CHEMBL614004 | EC50 | 8.32 | 8.32 | 4.8 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of kinesin spindle protein | 17804233 |
| A2780 | EC50 | = | 4.8 | nM | 8.32 | Mitotic arrest in human A2780 cells assessed as G2/M block after 16 hrs | 17804233 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of hERG expressed in HEK cells | 17804233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17804233 | 10.1016/j.bmcl.2007.07.067 | Kinesin-like protein KIF11 | 1 |
| 17804233 | 10.1016/j.bmcl.2007.07.067 | A2780 | 1 |
| 17804233 | 10.1016/j.bmcl.2007.07.067 | Unchecked | 1 |
| 17804233 | 10.1016/j.bmcl.2007.07.067 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine