Compound Detail
CHEMBL2030061
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Basic Information
| ChEMBL ID | CHEMBL2030061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEXRWYBBBLPNIK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
5.40
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.15 | 6.83 | 71.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.58 | 6.485 | 263.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 71.0 | nM | 7.15 | Inhibition of Plasmodium falciparum recombinant NDH2 expressed in Escherichia co... | 22364416 |
| Plasmodium falciparum | IC50 | = | 263.0 | nM | 6.58 | Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 | 22364416 |
| Unchecked | IC50 | = | 310.0 | nM | 6.51 | Mtb cytochrome bd inhibition assay: The Mtb cytochrome bd inhibition assay descr... | - |
| Plasmodium falciparum | IC50 | = | 403.0 | nM | 6.39 | Antimalarial activity against atoquinone-resistant Plasmodium falciparum TM90C2B | 22364416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364416 | 10.1021/jm201179h | Plasmodium falciparum | 2 |
| 22364416 | 10.1021/jm201179h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine