Compound Detail
CHEMBL381526
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Basic Information
| ChEMBL ID | CHEMBL381526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEUBMPVLEUTSNQ-PMACEKPBSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
3.62
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
EC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 8.92 | 8.92 | 1.2 | 2 |
| A2780 CHEMBL614004 | EC50 | 8.48 | 8.48 | 3.3 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 1.2 | nM | 8.92 | Inhibition of KSP by ATPase assay | 16439122 |
| Kinesin-like protein KIF11 | IC50 | = | 1.2 | nM | 8.92 | Inhibition of KSP | 17095225 |
| A2780 | EC50 | = | 3.3 | nM | 8.48 | Mitotic arrest in A2780 cells | 16439122 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 8500.0 | nM | 5.07 | Inhibitory activity against human hERG receptor expressed in HEK cells | 16439122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16439122 | 10.1016/j.bmcl.2005.12.094 | Kinesin-like protein KIF11 | 1 |
| 16439122 | 10.1016/j.bmcl.2005.12.094 | A2780 | 1 |
| 16439122 | 10.1016/j.bmcl.2005.12.094 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17095225 | 10.1016/j.bmcl.2006.10.083 | Kinesin-like protein KIF11 | 1 |
Data from ChEMBL 36 via Core Engine