Compound Detail
CHEMBL195168
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1cncc1CN1CC(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2cccnc2)Cc2cc(C#N)ccc21
Basic Information
| ChEMBL ID | CHEMBL195168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCXGDFGCNDASCM-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 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.22 | 7.94 | 6.0 | 3 |
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.57 | 5.57 | 2691.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of biotinylated lamin B peptide farnesylation by rat farnesyltransfer... | 15916422 |
| Unchecked | IC50 | = | 6.026 | nM | 8.22 | Inhibition of rat PFT | 18329140 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Plasmodium falciparum protein farnesyltransferase by SPA method | 17606674 |
| Protein farnesyltransferase (PFT) | IC50 | = | 25.0 | nM | 7.6 | Inhibition of biotinylated lamin B peptide farnesylation by Plasmodium falciparu... | 15916422 |
| Unchecked | IC50 | = | 25.12 | nM | 7.6 | Inhibition of Plasmodium falciparum PFT | 18329140 |
| Plasmodium falciparum | IC50 | = | 2691.53 | nM | 5.57 | 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