Compound Detail
CHEMBL215769
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Basic Information
| ChEMBL ID | CHEMBL215769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDHGAQOVWWBGFK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
6
PK Parameters
12
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
2.92
ALogP
8
HBA
0
HBD
100.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 914.1 | ng.hr.mL-1 | Mus musculus |
| Cmax | 740.0 | nM | Mus musculus |
| T1/2 | 0.15 | hr | Mus musculus |
| T1/2 | 0.3 | hr | Rattus norvegicus |
| T1/2 | 1.598 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) | IC50 | = | 0.5 | nM | 9.3 | Inhibition of Plasmodium falciparum PFT | 16970397 |
| Protein farnesyltransferase | IC50 | = | 25.0 | nM | 7.6 | Inhibition of rat PFT | 16970397 |
| Protein farnesyltransferase | IC50 | = | 56.0 | nM | 7.25 | Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP int... | 20822181 |
| Protein farnesyltransferase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells | 20822181 |
| Geranylgeranyl transferase type I | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of human geranylgeranyltransferase-1 assessed as incorporation of [3H... | 20822181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970397 | 10.1021/jm060081v | Mus musculus | 5 |
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase (PFT) | 4 |
| 16970397 | 10.1021/jm060081v | Plasmodium falciparum | 2 |
| 18686940 | 10.1021/jm800113p | Unchecked | 2 |
| 18686940 | 10.1021/jm800113p | Plasmodium falciparum | 2 |
| 20822181 | 10.1021/jm1001748 | Protein farnesyltransferase | 2 |
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase | 1 |
| 16970397 | 10.1021/jm060081v | Caco-2 | 1 |
| 16970397 | 10.1021/jm060081v | Liver microsomes | 1 |
| 20822181 | 10.1021/jm1001748 | Geranylgeranyl transferase type I | 1 |
| 20822181 | 10.1021/jm1001748 | Unchecked | 1 |
| 20822181 | 10.1021/jm1001748 | Geranylgeranyl transferase type 1 | 1 |
Data from ChEMBL 36 via Core Engine