Compound Detail
CHEMBL426063
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Basic Information
| ChEMBL ID | CHEMBL426063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGTSSSGHGKXRIS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
5.37
ALogP
6
HBA
0
HBD
77.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.52
EC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.03 | nM | 10.52 | Inhibition of [3H]FPP incorporation into recombinant Ras CVIM by human Farnesylt... | 15380198 |
| Protein farnesyltransferase | EC50 | = | 1.57 | nM | 8.8 | Reduced farnesylation in H-Ras NIH3T3 cells | 15380198 |
| Geranylgeranyl transferase type I | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of [3H]GGPP incorporation into C-terminus of K-Ras by human Geranylge... | 15380198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380198 | 10.1016/j.bmcl.2004.07.083 | Protein farnesyltransferase | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine