Compound Detail
CHEMBL2029824
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Basic Information
| ChEMBL ID | CHEMBL2029824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXNPJNUEKCKZHU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
4.52
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.05 | 7.05 | 88.5 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.12 | 6.12 | 752.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 88.5 | nM | 7.05 | Inhibition of Plasmodium falciparum recombinant NDH2 expressed in Escherichia co... | 22364416 |
| Plasmodium falciparum | IC50 | = | 752.0 | nM | 6.12 | Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 | 22364416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364416 | 10.1021/jm201179h | Plasmodium falciparum | 1 |
| 22364416 | 10.1021/jm201179h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine