Compound Detail
CHEMBL2442601
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Basic Information
| ChEMBL ID | CHEMBL2442601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGVBYMSTZJEWBM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.38
ALogP
4
HBA
4
HBD
125.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.09 | 4.09 | 80800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 5.8 | nM | 8.24 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assesse... | 24012380 |
| Plasmodium falciparum | IC50 | = | 10.0 | nM | 8.0 | Antiplasmodial activity against Plasmodium falciparum K1 assessed as [3H]-hypoxa... | 24012380 |
| L6 | IC50 | = | 80800.0 | nM | 4.09 | Cytotoxicity against rat L6 cells assessed as cell viability after 70 hrs by Ala... | 24012380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24012380 | 10.1016/j.bmc.2013.08.006 | Plasmodium falciparum | 2 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | Trypanosoma brucei rhodesiense | 2 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | L6 | 1 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | Unchecked | 1 |
| 30645099 | 10.1021/acs.jmedchem.8b01448 | HOXA9 DNA binding site | 1 |
Data from ChEMBL 36 via Core Engine