Compound Detail
CHEMBL183953
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 | CHEMBL183953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHSJUCKXCHDAKT-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.85
ALogP
7
HBA
0
HBD
96.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.24
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.24 | 9.235 | 0.6 | 2 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.58 | nM | 9.24 | Inhibition of bovine farnesyltransferase | 15454229 |
| Unchecked | IC50 | = | 0.5754 | nM | 9.24 | Inhibition of FTase | 19515462 |
| Unchecked | IC50 | = | 0.5888 | nM | 9.23 | Inhibition of farnesyltransferase | 17448576 |
| Protein farnesyltransferase | EC50 | = | 17.0 | nM | 7.77 | Inhibition of H-Ras transformed NIH-3T3-cell proliferation | 15454229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454229 | 10.1016/j.bmcl.2004.08.011 | Protein farnesyltransferase | 2 |
| 15454229 | 10.1016/j.bmcl.2004.08.011 | Geranylgeranyl transferase type I | 1 |
| 19515462 | 10.1016/j.ejmech.2009.04.045 | Unchecked | 1 |
| 17448576 | 10.1016/j.ejmech.2007.02.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine