Compound Detail
CHEMBL344687
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CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL344687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKSIKSJVVZGDPT-XIFFEERXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
590.8
MW (Da)
6.81
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.1 | 7.34 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Trypanosoma brucei protein farnesyltransferase at 50 nM | 14711313 |
| Protein farnesyltransferase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of mammalian Farnesyltransferase | 11277514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Plasmodium falciparum | 2 |
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Protein farnesyltransferase | 2 |
| 14711313 | 10.1021/jm030236o | Protein farnesyltransferase | 2 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei brucei | 1 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine