Compound Detail
CHEMBL346589
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Basic Information
| ChEMBL ID | CHEMBL346589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZYCQMKDUPSJSI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
4.15
ALogP
6
HBA
0
HBD
74.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.0 | 7.71 | 10.0 | 2 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 10.0 | nM | 8.0 | Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras tra... | 14741259 |
| Protein farnesyltransferase | IC50 | = | 38.0 | nM | 7.42 | Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]FPP into... | 14741259 |
| Geranylgeranyl transferase type I | IC50 | = | 55.0 | nM | 7.26 | Inhibition of human Geranylgeranyl transferase type I incorporation of [3H]GGPP ... | 14741259 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741259 | 10.1016/j.bmcl.2003.11.051 | Protein farnesyltransferase | 2 |
| 14741259 | 10.1016/j.bmcl.2003.11.051 | Geranylgeranyl transferase type I | 2 |
| 14741259 | 10.1016/j.bmcl.2003.11.051 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine