Compound Detail
CHEMBL171484
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CC(C)(C(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1)c1ccc[n+]([O-])c1
Basic Information
| ChEMBL ID | CHEMBL171484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKJVJLHCXBTZOM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
555.9
MW (Da)
4.44
ALogP
4
HBA
0
HBD
63.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.42 | 6.04 | 380.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 25000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 11700.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 11000.0 | nM | Mus musculus |
| F | 47.0 | % | Mus musculus |
| T1/2 | 0.6 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 380.0 | nM | 6.42 | In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene | 9526562 |
| Protein farnesyltransferase | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of Farnesyltransferase from Ras-CVLS or Ras-CVLL in Cos-7 monkey kidn... | 9526562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526562 | 10.1021/jm970462w | Mus musculus | 5 |
| 9526562 | 10.1021/jm970462w | Protein farnesyltransferase | 2 |
| 9526562 | 10.1021/jm970462w | ADMET | 1 |
Data from ChEMBL 36 via Core Engine