Compound Detail
CHEMBL385845
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Basic Information
| ChEMBL ID | CHEMBL385845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRIVPRZNMCCALI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
2.32
ALogP
9
HBA
0
HBD
112.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) | IC50 | = | 2.1 | nM | 8.68 | Inhibition of Plasmodium falciparum PFT | 16970397 |
| Protein farnesyltransferase | IC50 | = | 43.0 | nM | 7.37 | Inhibition of rat PFT | 16970397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase (PFT) | 4 |
| 16970397 | 10.1021/jm060081v | Plasmodium falciparum | 2 |
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase | 1 |
| 16970397 | 10.1021/jm060081v | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine