Compound Detail
CHEMBL585547
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Clc1ccc(C2CC3(N4CCCCC4)CCN(CCc4ccccc4)C2C(c2ccc(Cl)cc2)C3)cc1
Basic Information
| ChEMBL ID | CHEMBL585547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEHODYGTQZFDPN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
8.20
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.1 | 5.1 | 7890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 730.0 | nM | 6.14 | Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodi... | 19879671 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1860.0 | nM | 5.73 | Antiplasmodial activity against Trypanosoma brucei rhodesiense STIB 900 by micro... | 19879671 |
| L6 | IC50 | = | 7890.0 | nM | 5.1 | Cytotoxicity against rat L6 cells | 19879671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19879671 | 10.1016/j.ejmech.2009.09.040 | Unchecked | 2 |
| 19879671 | 10.1016/j.ejmech.2009.09.040 | Plasmodium falciparum | 1 |
| 19879671 | 10.1016/j.ejmech.2009.09.040 | Trypanosoma brucei rhodesiense | 1 |
| 19879671 | 10.1016/j.ejmech.2009.09.040 | L6 | 1 |
Data from ChEMBL 36 via Core Engine