Compound Detail
CHEMBL39572
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Basic Information
| ChEMBL ID | CHEMBL39572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTNYDRGHMAAJMX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.6
MW (Da)
3.94
ALogP
5
HBA
4
HBD
37.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of [3H]farnesyl pyrophosphate binding to human farnesyltransferase | 12699746 |
| Unchecked | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human protein farnesyltransferase | 28666734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28666734 | 10.1016/j.bmcl.2017.06.047 | Unchecked | 7 |
| 12699746 | 10.1016/s0960-894x(03)00183-5 | Protein farnesyltransferase | 1 |
| 12699746 | 10.1016/s0960-894x(03)00183-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine