Compound Detail
CHEMBL343172
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Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL343172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOYOASASOHZEDR-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
490.4
MW (Da)
5.53
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.77
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.7 | nM | 8.77 | Inhibition of [3H]FPP incorporation into biotinylated lamin B peptide by farnesy... | 14643326 |
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of rat recombinant PFT expressed in insect Sf9 cells by scintillation... | 20429511 |
| NIH3T3 | IC50 | = | 12.0 | nM | 7.92 | In vitro inhibition of NIH3T3 cell proliferation | 14643326 |
| Trypanosoma cruzi | EC50 | = | 17.0 | nM | 7.77 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infecte... | 20429511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643326 | 10.1016/j.bmcl.2003.09.043 | Protein farnesyltransferase | 1 |
| 14643326 | 10.1016/j.bmcl.2003.09.043 | NIH3T3 | 1 |
| 20429511 | 10.1021/jm9013136 | Unchecked | 1 |
| 20429511 | 10.1021/jm9013136 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine