Compound Detail
CHEMBL233476
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Basic Information
| ChEMBL ID | CHEMBL233476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXWWELFEVROOTD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1182370 |
| Active Moiety | CHEMBL1182370 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
3.95
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.09 | 5.05 | 8110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 1200.0 | nM | 5.92 | Antitrypanosomal activity against Trypanosoma brucei brucei after 48 hrs | 17239596 |
| Plasmodium falciparum | IC50 | = | 8110.0 | nM | 5.09 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... | 20382538 |
| Plasmodium falciparum | IC50 | = | 9810.0 | nM | 5.01 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 20382538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20382538 | 10.1016/j.bmc.2010.03.067 | Plasmodium falciparum | 2 |
| 17239596 | 10.1016/j.bmcl.2006.12.088 | Trypanosoma brucei brucei | 1 |
| 17239596 | 10.1016/j.bmcl.2006.12.088 | ADMET | 1 |
| 20382538 | 10.1016/j.bmc.2010.03.067 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine