Compound Detail
CHEMBL345932
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Basic Information
| ChEMBL ID | CHEMBL345932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSEUXBNQRSSHJB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.64
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.27 | 4.27 | 54200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory concentration against Plasmodium falciparum FcBIR | 15537352 |
| HeLa | IC50 | = | 54200.0 | nM | 4.27 | Cytotoxicity against human HeLa cells after 6 days by WST1 colorimetric assay | 18789703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996858 | 10.1039/C8MD00582F | HepG2 | 2 |
| 11170645 | 10.1021/jm001079l | Trypanothione reductase | 1 |
| 11170645 | 10.1021/jm001079l | ADMET | 1 |
| 11170645 | 10.1021/jm001079l | Trypanosoma cruzi | 1 |
| 11170645 | 10.1021/jm001079l | Trypanosoma brucei | 1 |
| 15537352 | 10.1021/jm0497545 | Plasmodium falciparum | 1 |
| 15537352 | 10.1021/jm0497545 | MRC5 | 1 |
| 18789703 | 10.1016/j.bmc.2008.08.009 | M-phase inducer phosphatase 2 | 1 |
| 18789703 | 10.1016/j.bmc.2008.08.009 | HeLa | 1 |
| 30996858 | 10.1039/C8MD00582F | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine