Compound Detail
CHEMBL2164260
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Basic Information
| ChEMBL ID | CHEMBL2164260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWCPEEGLVGKZLQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.2
MW (Da)
0.87
ALogP
4
HBA
3
HBD
107.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.46 | 6.39 | 350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 27.0 | nM | 7.57 | Inhibition of recombinant Plasmodium falciparum recombinant IspC using [3,4,5-13... | 22731758 |
| Plasmodium falciparum | IC50 | = | 350.0 | nM | 6.46 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... | 22731758 |
| Plasmodium falciparum | IC50 | = | 480.0 | nM | 6.32 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 22731758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22731758 | 10.1021/jm300652f | Plasmodium falciparum | 2 |
| 22731758 | 10.1021/jm300652f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine