Compound Detail
CHEMBL22547
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL22547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMHFYICSWNADEI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.09
ALogP
4
HBA
0
HBD
50.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 86.0 | nM | 7.07 | Inhibition of rate of incorporation of [3H]FPP into recombinant Ras-CVIM by huma... | 11392531 |
| Geranylgeranyl transferase type I | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of rate of incorporation of [3H]GGPP into a biotinylated peptide corr... | 11392531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11392531 | 10.1016/s0960-894x(01)00162-7 | Protein farnesyltransferase | 1 |
| 11392531 | 10.1016/s0960-894x(01)00162-7 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine