Compound Detail
CHEMBL195597
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Cn1cncc1CN1CC(N(CC(=O)NC(C)(C)C)S(=O)(=O)Cc2ccc(F)cc2)Cc2cc(C#N)ccc21
Basic Information
| ChEMBL ID | CHEMBL195597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQWVLANNJBATDL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
3.11
ALogP
7
HBA
1
HBD
111.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 7.6 | nM | 8.12 | Inhibition of biotinylated lamin B peptide farnesylation by rat farnesyltransfer... | 15916422 |
| Protein farnesyltransferase (PFT) | IC50 | = | 42.0 | nM | 7.38 | Inhibition of biotinylated lamin B peptide farnesylation by Plasmodium falciparu... | 15916422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15916422 | 10.1021/jm0491039 | Protein farnesyltransferase (PFT) | 1 |
| 15916422 | 10.1021/jm0491039 | Protein farnesyltransferase | 1 |
| 15916422 | 10.1021/jm0491039 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine