Compound Detail
CHEMBL362881
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Basic Information
| ChEMBL ID | CHEMBL362881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUCIXFHIZYSMOM-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
5.96
ALogP
6
HBA
0
HBD
83.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.21
EC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.21 | 9.21 | 0.6 | 1 |
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.19 | 9.185 | 0.6 | 2 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 7.28 | 7.28 | 52.0 | 2 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.62 | nM | 9.21 | Inhibition of [3H]FPP incorporation into recombinant Ras CVIM by human Farnesylt... | 15380198 |
| Protein farnesyltransferase | IC50 | = | 0.65 | nM | 9.19 | Inhibition of bovine farnesyltransferase | 15454229 |
| Unchecked | IC50 | = | 0.6457 | nM | 9.19 | Inhibition of FTase | 19515462 |
| Unchecked | IC50 | = | 0.6607 | nM | 9.18 | Inhibition of farnesyltransferase | 17448576 |
| Protein farnesyltransferase | EC50 | = | 52.0 | nM | 7.28 | Inhibition of H-Ras transformed NIH-3T3-cell proliferation | 15454229 |
| Protein farnesyltransferase | EC50 | = | 52.0 | nM | 7.28 | Reduced farnesylation in H-Ras NIH3T3 cells | 15380198 |
| Geranylgeranyl transferase type I | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of bovine Geranylgeranyltransferase | 15454229 |
| Geranylgeranyl transferase type I | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of [3H]GGPP incorporation into C-terminus of K-Ras by human Geranylge... | 15380198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454229 | 10.1016/j.bmcl.2004.08.011 | Protein farnesyltransferase | 2 |
| 15380198 | 10.1016/j.bmcl.2004.07.083 | Protein farnesyltransferase | 2 |
| 15454229 | 10.1016/j.bmcl.2004.08.011 | Geranylgeranyl transferase type I | 1 |
| 15380198 | 10.1016/j.bmcl.2004.07.083 | Geranylgeranyl transferase type I | 1 |
| 15380198 | 10.1016/j.bmcl.2004.07.083 | Protein farnesyl/geranylgeranyl transferase | 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