Compound Detail
CHEMBL373337
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Cn1cncc1CN1CC(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21
Basic Information
| ChEMBL ID | CHEMBL373337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRCRPMJRHQPZEZ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
2.22
ALogP
8
HBA
1
HBD
124.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 8.8667 | 1.0 | 3 |
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.07 | 7.07 | 85.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Plasmodium falciparum protein farnesyltransferase by SPA method | 17606674 |
| Protein farnesyltransferase (PFT) | IC50 | = | 1.4 | nM | 8.85 | Inhibition of biotinylated lamin B peptide farnesylation by Plasmodium falciparu... | 15916422 |
| Unchecked | IC50 | = | 1.413 | nM | 8.85 | Inhibition of Plasmodium falciparum PFT | 18329140 |
| Unchecked | IC50 | = | 1.778 | nM | 8.75 | Inhibition of rat PFT | 18329140 |
| Protein farnesyltransferase | IC50 | = | 1.8 | nM | 8.74 | Inhibition of biotinylated lamin B peptide farnesylation by rat farnesyltransfer... | 15916422 |
| Plasmodium falciparum | IC50 | = | 85.11 | nM | 7.07 | Antiplasmodial activity against Plasmodium falciparum 3D7 | 18329140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18329140 | 10.1016/j.ejmech.2008.01.025 | Unchecked | 2 |
| 15916422 | 10.1021/jm0491039 | Protein farnesyltransferase (PFT) | 1 |
| 15916422 | 10.1021/jm0491039 | Protein farnesyltransferase | 1 |
| 15916422 | 10.1021/jm0491039 | Plasmodium falciparum | 1 |
| 17606674 | 10.1128/aac.00246-07 | Unchecked | 1 |
| 17606674 | 10.1128/aac.00246-07 | Plasmodium falciparum | 1 |
| 18329140 | 10.1016/j.ejmech.2008.01.025 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine