Compound Detail
CHEMBL524909
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Basic Information
| ChEMBL ID | CHEMBL524909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCMOPVSFMUOUFR-NRFANRHFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
2.80
ALogP
6
HBA
1
HBD
83.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 13.0 | nM | 7.89 | Inhibition of Farnesyltransferase in H-ras-transformed Rat cells by radiotracer ... | 12036349 |
| Protein farnesyltransferase | IC50 | = | 54.0 | nM | 7.27 | Inhibition of human farnesyltransferase in PSN-1 cells. | 12036349 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 11000.01 | nM | 4.96 | Inhibition of human ERG channel | 19534531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036349 | 10.1021/jm010531d | Protein farnesyltransferase | 2 |
| 12036349 | 10.1021/jm010531d | Geranylgeranyl transferase type I | 1 |
| 12036349 | 10.1021/jm010531d | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19534531 | 10.1021/jm900002x | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine