Compound Detail
CHEMBL352918
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Basic Information
| ChEMBL ID | CHEMBL352918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOCBHZWNUHMROR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
517.9
MW (Da)
4.22
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.14 | 6.955 | 72.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 27200.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 17600.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 3000.0 | nM | Mus musculus |
| F | 65.0 | % | Mus musculus |
| T1/2 | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 72.0 | nM | 7.14 | In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene | 9526562 |
| Protein farnesyltransferase | IC50 | = | 170.0 | nM | 6.77 | 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 | 6 |
| 9526562 | 10.1021/jm970462w | Protein farnesyltransferase | 2 |
| 9526562 | 10.1021/jm970462w | geranylgeranyltransferase type-I | 1 |
Data from ChEMBL 36 via Core Engine