Compound Detail
CHEMBL235112
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O=C(OC1CC2(N3CCCCC3)CC(c3ccccc3)C1C(c1ccccc1)C2)c1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL235112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEFXOLXSIYRZIN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
6.55
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.6 | 5.6 | 2510.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.89 | 4.89 | 12730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 550.0 | nM | 6.26 | Antiplasmodial activity against chloroquine, pyrimethamine-resistant Plasmodium ... | 17544672 |
| Trypanosoma brucei rhodesiense | IC50 | = | 2510.0 | nM | 5.6 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense after 72 hrs by... | 17544672 |
| L6 | IC50 | = | 12730.0 | nM | 4.89 | Cytotoxicity against rat L6 cells after 72 hrs by microplate assay | 17544672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17544672 | 10.1016/j.bmc.2007.05.042 | Unchecked | 2 |
| 17544672 | 10.1016/j.bmc.2007.05.042 | Trypanosoma brucei rhodesiense | 1 |
| 17544672 | 10.1016/j.bmc.2007.05.042 | Plasmodium falciparum | 1 |
| 17544672 | 10.1016/j.bmc.2007.05.042 | L6 | 1 |
Data from ChEMBL 36 via Core Engine