Compound Detail
CHEMBL54279
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Basic Information
| ChEMBL ID | CHEMBL54279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPZVKZRBOSROBN-YPMHNXCESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
1.29
ALogP
6
HBA
5
HBD
104.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Ki 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | Ki | 6.11 | 6.11 | 785.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of farnesyltransferase from human Burkitt lymphoma (Daudi) cells | 11754590 |
| Protein farnesyltransferase | Ki | = | 785.0 | nM | 6.11 | Inhibition of recombinant FTase (unknown origin)-mediated K-Ras4B model peptide ... | 23107667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754590 | 10.1021/jm0103099 | Protein farnesyltransferase | 1 |
| 23107667 | 10.1016/j.bmc.2012.09.061 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine