Compound Detail
CHEMBL215083
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Basic Information
| ChEMBL ID | CHEMBL215083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJCDWDJDJPZXSX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
543.5
MW (Da)
3.81
ALogP
7
HBA
0
HBD
76.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.04833 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Plasmodium falciparum PFT | 16970397 |
| Protein farnesyltransferase | IC50 | = | 79.0 | nM | 7.1 | Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP int... | 20822181 |
| Protein farnesyltransferase | IC50 | = | 290.0 | nM | 6.54 | Inhibition of rat PFT | 16970397 |
| Geranylgeranyl transferase type I | IC50 | = | 530.0 | nM | 6.28 | Inhibition of human geranylgeranyltransferase-1 assessed as incorporation of [3H... | 20822181 |
| Protein farnesyltransferase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells | 20822181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase (PFT) | 4 |
| 16970397 | 10.1021/jm060081v | Plasmodium falciparum | 2 |
| 20822181 | 10.1021/jm1001748 | Protein farnesyltransferase | 2 |
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase | 1 |
| 16970397 | 10.1021/jm060081v | Mus musculus | 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