Compound Detail
CHEMBL125953
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Basic Information
| ChEMBL ID | CHEMBL125953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXTSWLXMRQOBHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.1
MW (Da)
4.44
ALogP
4
HBA
1
HBD
21.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.39 | 7.39 | 40.6 | 1 |
| Histidine-rich protein PFHRP-II CHEMBL1923 | IC50 | 4.02 | 4.02 | 94700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 40.6 | nM | 7.39 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1 | 14552779 |
| Histidine-rich protein PFHRP-II | IC50 | = | 94700.0 | nM | 4.02 | Inhibition of 1-monooleoyl glycerol (MOG) induced beta-hematin formation | 14552779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552779 | 10.1016/j.bmcl.2003.07.008 | Histidine-rich protein PFHRP-II | 2 |
| 14552779 | 10.1016/j.bmcl.2003.07.008 | MRC5 | 2 |
| 14552779 | 10.1016/j.bmcl.2003.07.008 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine