Compound Detail
CHEMBL181748
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Basic Information
| ChEMBL ID | CHEMBL181748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGCOPNHCHHWZNH-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
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 7 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.43 | 9.43 | 0.4 | 1 |
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.31 | 9.31 | 0.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.31 | 9.3067 | 0.5 | 3 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.37 | nM | 9.43 | Inhibition of [3H]FPP incorporation into recombinant Ras CVIM by human Farnesylt... | 15380198 |
| Protein farnesyltransferase | IC50 | = | 0.49 | nM | 9.31 | Inhibition of bovine farnesyltransferase | 15454229 |
| Unchecked | IC50 | = | 0.49 | nM | 9.31 | Inhibition of FTase | 17236767 |
| Unchecked | IC50 | = | 0.4898 | nM | 9.31 | Inhibition of FTase | 19515462 |
| Unchecked | IC50 | = | 0.5012 | nM | 9.3 | Inhibition of farnesyltransferase | 17448576 |
| Geranylgeranyl transferase type I | IC50 | = | 990.0 | nM | 6.0 | Inhibition of bovine Geranylgeranyltransferase | 15454229 |
| Geranylgeranyl transferase type I | IC50 | = | 990.0 | nM | 6.0 | 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 |
| 17236767 | 10.1016/j.bmcl.2006.12.087 | Unchecked | 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