Compound Detail
CHEMBL431828
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Basic Information
| ChEMBL ID | CHEMBL431828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KULAYTGUTXCHSV-QFIPXVFZSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
3.61
ALogP
5
HBA
4
HBD
107.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.07 | 8.915 | 0.9 | 4 |
| Unchecked CHEMBL612545 | IC50 | 8.85 | 8.81 | 1.4 | 2 |
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.86 | nM | 9.07 | Inhibition of mammalian protein farnesyltransferase | 14711313 |
| Protein farnesyltransferase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of mammalian Farnesyltransferase | 11277514 |
| Protein farnesyltransferase | IC50 | = | 1.4 | nM | 8.85 | Inhibition of [3H]FPP incorporation into Ha-ras protein by Farnesyltransferase | 11677136 |
| Unchecked | IC50 | = | 1.4 | nM | 8.85 | Inhibition of farnesyltransferase in human Burkitts lymphoma cell | 34236862 |
| Unchecked | IC50 | = | 1.7 | nM | 8.77 | Inhibition of GGTase-1 in human Burkitts lymphoma cell | 34236862 |
| Protein farnesyltransferase | IC50 | = | 1.8 | nM | 8.74 | Inhibition of Trypanosoma brucei protein farnesyltransferase | 14711313 |
| Protein farnesyltransferase (PFT) | IC50 | = | 15.0 | nM | 7.82 | Inhibition of biotinylated lamin B peptide farnesylation by Plasmodium falciparu... | 15916422 |
| Protein farnesyltransferase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of mammalian H-Ras processing in NIH 3T3 cells | 11277514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711313 | 10.1021/jm030236o | Protein farnesyltransferase | 3 |
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Plasmodium falciparum | 2 |
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Protein farnesyltransferase | 2 |
| 14711313 | 10.1021/jm030236o | NIH3T3 | 2 |
| 34236862 | 10.1021/acs.jmedchem.1c00410 | Unchecked | 2 |
| 11677136 | 10.1016/s0960-894x(01)00593-5 | Protein farnesyltransferase | 1 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei brucei | 1 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei rhodesiense | 1 |
| 15916422 | 10.1021/jm0491039 | Protein farnesyltransferase (PFT) | 1 |
| 15916422 | 10.1021/jm0491039 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine