Compound Detail
CHEMBL66699
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Basic Information
| ChEMBL ID | CHEMBL66699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIVUVRPLLRMTDC-VWLOTQADSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
432.9
MW (Da)
3.70
ALogP
4
HBA
0
HBD
49.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase HRas CHEMBL2167 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| GTPase KRas CHEMBL2189121 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.85 | 6.85 | 140.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.85 | 6.58 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GTPase HRas | IC50 | = | 1.9 | nM | 8.72 | Inhibition of H-Ras (unknown origin) | 36155354 |
| GTPase KRas | IC50 | = | 5.2 | nM | 8.28 | Inhibition of K-Ras (unknown origin) | 36155354 |
| Protein farnesyltransferase | IC50 | = | 140.0 | nM | 6.85 | In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene | 9526562 |
| Protein farnesyltransferase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of Farnesyltransferase | 10377218 |
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Inhibition of FTase | 17049856 |
| Unchecked | IC50 | = | 490.0 | nM | 6.31 | Inhibition of wild type FTase (unknown origin) | 36155354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526562 | 10.1021/jm970462w | Protein farnesyltransferase | 1 |
| 10377218 | 10.1021/jm990030g | Protein farnesyltransferase | 1 |
| 17049856 | 10.1016/j.bmcl.2006.09.055 | Unchecked | 1 |
| 36155354 | 10.1016/j.ejmech.2022.114742 | Unchecked | 1 |
| 36155354 | 10.1016/j.ejmech.2022.114742 | GTPase HRas | 1 |
| 36155354 | 10.1016/j.ejmech.2022.114742 | GTPase KRas | 1 |
Data from ChEMBL 36 via Core Engine