Compound Detail
CHEMBL334635
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Basic Information
| ChEMBL ID | CHEMBL334635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJDFLBHKZQUEFX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.0
MW (Da)
5.20
ALogP
3
HBA
0
HBD
46.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.4 | 7.31 | 40.0 | 2 |
| COS-1 CHEMBL614563 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 40.0 | nM | 7.4 | Compound was tested for the inhibition of Farnesyltransferase | 9435898 |
| Protein farnesyltransferase | IC50 | = | 60.0 | nM | 7.22 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| COS-1 | IC50 | = | 1000.0 | nM | 6.0 | Compound was tested for the inhibition of COS cells in monkey. | 9435898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435898 | 10.1021/jm970464g | Protein farnesyltransferase | 1 |
| 9435898 | 10.1021/jm970464g | Geranylgeranyl transferase type I | 1 |
| 9435898 | 10.1021/jm970464g | COS-1 | 1 |
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine