Compound Detail
CHEMBL67122
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Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL67122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTORJVQLJHBZSP-LVZFUZTISA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
585.6
MW (Da)
7.23
ALogP
6
HBA
2
HBD
131.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyltransferase CHEMBL2111393 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.12 | 7.12 | 75.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyltransferase | IC50 | = | 35.0 | nM | 7.46 | Inhibitory activity against yeast farnesyltransferase | 11543680 |
| Unchecked | IC50 | = | 35.0 | nM | 7.46 | Inhibition of Saccharomyces cerevisiae FTase | 16279776 |
| Plasmodium falciparum | IC50 | = | 75.0 | nM | 7.12 | Inhibitory concentration against multidrug-resistant Plasmodium falciparum Dd2. | 12217353 |
| Plasmodium falciparum | IC50 | = | 75.0 | nM | 7.12 | Inhibitory activity against Plasmodium falciparum Dd2 in erythrocytes by semiaut... | 12565929 |
| Plasmodium falciparum | IC50 | = | 75.0 | nM | 7.12 | Inhibition against Plasmodium falciparum Dd2 in erythrocytes in semiautomated mi... | 12798326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12217353 | 10.1016/s0960-894x(02)00555-3 | Plasmodium falciparum | 1 |
| 11543680 | 10.1021/jm010873j | Farnesyltransferase | 1 |
| 12565929 | 10.1016/s0960-894x(02)01003-x | Plasmodium falciparum | 1 |
| 12798326 | 10.1016/s0960-894x(03)00353-6 | Plasmodium falciparum | 1 |
| 16279776 | 10.1021/jm050456x | Unchecked | 1 |
| 16279776 | 10.1021/jm050456x | Trypanosoma cruzi | 1 |
| 16279776 | 10.1021/jm050456x | HeLa | 1 |
Data from ChEMBL 36 via Core Engine