Compound Detail
CHEMBL55826
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Basic Information
| ChEMBL ID | CHEMBL55826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBXLXUGOZZWQOW-DEOSSOPVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.00
ALogP
6
HBA
1
HBD
83.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.09 | 5.09 | 8100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.1 | nM | 8.96 | Inhibitory concentration against farnesyltransferase was determined | 15055985 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of human ERG channel | 19534531 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of human ERG channel expressed in CHO cells by IonWorks assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055985 | 10.1021/jm0305467 | Protein farnesyltransferase | 1 |
| 19534531 | 10.1021/jm900002x | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| - | 10.1039/C2MD20010D | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine