Compound Detail
CHEMBL334749
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL334749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZUAAANARRVXPY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
15
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 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.28 | 5.83 | 530.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1100.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 400.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 48600.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 1.07 | uh ml-1 | Macaca fascicularis |
| AUC | 48600.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 450.0 | ng.hr.mL-1 | Macaca fascicularis |
| Cmax | 3900.0 | nM | Mus musculus |
| Cmax | 290.0 | nM | Macaca fascicularis |
| Cmax | 110.0 | nM | Macaca fascicularis |
| F | 36.0 | % | Mus musculus |
| F | 2.2 | % | Macaca fascicularis |
| F | 1.4 | % | Macaca fascicularis |
| T1/2 | 0.2 | hr | Mus musculus |
| T1/2 | 1.5 | hr | Macaca fascicularis |
| T1/2 | 1.5 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 530.0 | nM | 6.28 | In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene | 9526562 |
| Protein farnesyltransferase | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Protein farnesyltransferase | IC50 | = | 6220.0 | nM | 5.21 | 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 | Cynomolgus monkey | 8 |
| 9526562 | 10.1021/jm970462w | Mus musculus | 6 |
| 9526562 | 10.1021/jm970462w | Protein farnesyltransferase | 2 |
| 9526562 | 10.1021/jm970462w | ADMET | 2 |
| 9526562 | 10.1021/jm970462w | geranylgeranyltransferase type-I | 1 |
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine