Compound Detail
CHEMBL179598
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Cn1cncc1CN1CC(N(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21
Basic Information
| ChEMBL ID | CHEMBL179598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQIKAKSHLZASKW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
2.65
ALogP
9
HBA
0
HBD
121.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.5 | nM | 8.82 | Inhibition of human farnesyltransferase | 15780629 |
| Protein farnesyltransferase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of cellular reversion in H-ras transformed Rat-1 cells | 15780629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780629 | 10.1016/j.bmcl.2005.02.004 | Protein farnesyltransferase | 3 |
Data from ChEMBL 36 via Core Engine