Compound Detail
CHEMBL259792
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Basic Information
| ChEMBL ID | CHEMBL259792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPKPWAVSORLPCX-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.85
ALogP
4
HBA
4
HBD
117.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Kd 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 14.0 | nM | 7.85 | Antiprotozoan activity against Trypanosoma brucei rhodesiense STIB900 | 17976993 |
| Plasmodium falciparum | IC50 | = | 85.0 | nM | 7.07 | Antiprotozoal activity against Plasmodium falciparum K1 | 17976993 |
| Unchecked | Kd | = | 250.0 | nM | 6.6 | Binding affinity to DNA | 17976993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17976993 | 10.1016/j.bmc.2007.10.042 | Trypanosoma brucei rhodesiense | 3 |
| 17976993 | 10.1016/j.bmc.2007.10.042 | Unchecked | 2 |
| 17976993 | 10.1016/j.bmc.2007.10.042 | Plasmodium falciparum | 1 |
| 17976993 | 10.1016/j.bmc.2007.10.042 | L6 | 1 |
Data from ChEMBL 36 via Core Engine