Compound Detail
CHEMBL24043
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Basic Information
| ChEMBL ID | CHEMBL24043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYLBZDCYGRTUQE-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
4.52
ALogP
6
HBA
1
HBD
94.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.14
EC50 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.14 | 9.14 | 0.7 | 2 |
| Unchecked CHEMBL612545 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Geranylgeranyl transferase type-1 subunit beta CHEMBL4135 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | EC50 | = | 0.1 | nM | 10.0 | Inhibition of farnesylation in NIH-3T3H-ras cell line | 12657267 |
| Protein farnesyltransferase | EC50 | = | 0.1 | nM | 10.0 | Reduced farnesylation in H-Ras NIH3T3 cells | 15380198 |
| Protein farnesyltransferase | IC50 | = | 0.73 | nM | 9.14 | Inhibition of human FTase-catalyzed incorporation of [3H]FPP into recombinant Ra... | 12657267 |
| Protein farnesyltransferase | IC50 | = | 0.73 | nM | 9.14 | Inhibition of [3H]FPP incorporation into recombinant Ras CVIM by human Farnesylt... | 15380198 |
| Unchecked | IC50 | = | 0.73 | nM | 9.14 | Inhibition of FTase | 17236767 |
| Geranylgeranyl transferase type-1 subunit beta | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human GGTase-catalyzed incorporation of [3H]GGPP into biotinylated... | 12657267 |
| Geranylgeranyl transferase type I | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of [3H]GGPP incorporation into C-terminus of K-Ras by human Geranylge... | 15380198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657267 | 10.1016/s0960-894x(03)00122-7 | Protein farnesyltransferase | 2 |
| 15380198 | 10.1016/j.bmcl.2004.07.083 | Protein farnesyltransferase | 2 |
| 12657267 | 10.1016/s0960-894x(03)00122-7 | Geranylgeranyl transferase type-1 subunit beta | 1 |
| 12657267 | 10.1016/s0960-894x(03)00122-7 | Protein farnesyl/geranylgeranyl transferase | 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 |
Data from ChEMBL 36 via Core Engine