Compound Detail
CHEMBL282161
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Basic Information
| ChEMBL ID | CHEMBL282161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROYSOBXGDVHDTQ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
4.36
ALogP
6
HBA
1
HBD
88.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.32
EC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.48 | nM | 9.32 | In vitro inhibition of farnesyltransferase | 12657283 |
| Protein farnesyltransferase | EC50 | = | 4.0 | nM | 8.4 | Inhibition of Ras farnesylation in Human Ha-Ras oncogene-transformed BALB/c 3T3 ... | 12657283 |
| Protein farnesyltransferase (PFT) | IC50 | = | 9.0 | nM | 8.05 | Inhibition of biotinylated lamin B peptide farnesylation by Plasmodium falciparu... | 15916422 |
| Geranylgeranyl transferase type I | IC50 | = | 540.0 | nM | 6.27 | In vitro inhibition of geranylgeranyltransferase-1 | 12657283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657283 | 10.1016/s0960-894x(03)00094-5 | Protein farnesyltransferase | 2 |
| 12657283 | 10.1016/s0960-894x(03)00094-5 | Geranylgeranyl transferase type I | 1 |
| 15916422 | 10.1021/jm0491039 | Protein farnesyltransferase (PFT) | 1 |
| 15916422 | 10.1021/jm0491039 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine