Compound Detail
CHEMBL148195
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Basic Information
| ChEMBL ID | CHEMBL148195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIBCPVSLTIHMRA-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.05
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.26 | 6.8125 | 5.5 | 4 |
| Histidine-rich protein PFHRP-II CHEMBL1923 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5.5 | nM | 8.26 | Selectivity for FM3A cells over Plasmodium falciparum as mean EC50 ratio | 12408708 |
| Plasmodium falciparum | IC50 | = | 9.8 | nM | 8.01 | In vitro inhibitory concentration against chloroquine-resistant Plasmodium falci... | 12408708 |
| Plasmodium falciparum | IC50 | = | 2090.0 | nM | 5.68 | Inhibition of chloroquine uptake from intact parasites | 12408708 |
| Plasmodium falciparum | IC50 | = | 4960.0 | nM | 5.3 | Displacement of chloroquine from Fe(3+) FPIX-loaded membrane | 12408708 |
| Histidine-rich protein PFHRP-II | IC50 | = | 71000.0 | nM | 4.15 | Inhibition of beta-hematin formation | 12408708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408708 | 10.1021/jm0108707 | Plasmodium falciparum | 4 |
| 12408708 | 10.1021/jm0108707 | Unchecked | 1 |
| 12408708 | 10.1021/jm0108707 | Histidine-rich protein PFHRP-II | 1 |
Data from ChEMBL 36 via Core Engine