Compound Detail
CHEMBL375375
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Basic Information
| ChEMBL ID | CHEMBL375375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBHUVDNHYBJEMO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
6.01
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.89 | 7.87 | 13.0 | 2 |
| Histidine-rich protein PFHRP-II CHEMBL1923 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 13.0 | nM | 7.89 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum | 20466465 |
| Plasmodium falciparum | IC50 | = | 14.0 | nM | 7.85 | Antiplasmodial activity against Plasmodium falciparum NF54 | 17228883 |
| Histidine-rich protein PFHRP-II | IC50 | = | 620.0 | nM | 6.21 | Inhibition of beta-hematin polymerization | 17228883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228883 | 10.1021/jm061002i | Plasmodium falciparum | 2 |
| 17228883 | 10.1021/jm061002i | Histidine-rich protein PFHRP-II | 1 |
| 17228883 | 10.1021/jm061002i | Plasmodium yoelii | 1 |
| 17228883 | 10.1021/jm061002i | Mus musculus | 1 |
| 20466465 | 10.1016/j.ejmech.2010.04.011 | Plasmodium falciparum | 1 |
| 28065567 | 10.1016/j.bmcl.2016.06.038 | Streptococcus pneumoniae | 1 |
| 28065567 | 10.1016/j.bmcl.2016.06.038 | Bacillus subtilis | 1 |
| 28065567 | 10.1016/j.bmcl.2016.06.038 | Clostridium tetani | 1 |
| 28065567 | 10.1016/j.bmcl.2016.06.038 | Escherichia coli | 1 |
| 28065567 | 10.1016/j.bmcl.2016.06.038 | Salmonella typhi | 1 |
| 28065567 | 10.1016/j.bmcl.2016.06.038 | Vibrio cholerae | 1 |
| 28065567 | 10.1016/j.bmcl.2016.06.038 | Mycobacterium tuberculosis | 1 |
| 28065567 | 10.1016/j.bmcl.2016.06.038 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine