Compound Detail
CHEMBL188127
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Basic Information
| ChEMBL ID | CHEMBL188127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPRLSDQQGNENQJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
5.11
ALogP
6
HBA
0
HBD
87.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.37 | 8.365 | 4.3 | 2 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 4.3 | nM | 8.37 | Inhibition of bovine farnesyltransferase | 15454229 |
| Unchecked | IC50 | = | 4.266 | nM | 8.37 | Inhibition of FTase | 19515462 |
| Unchecked | IC50 | = | 4.365 | nM | 8.36 | Inhibition of farnesyltransferase | 17448576 |
| Geranylgeranyl transferase type I | IC50 | = | 810.0 | nM | 6.09 | Inhibition of bovine Geranylgeranyltransferase | 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