Compound Detail
CHEMBL2036059
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Basic Information
| ChEMBL ID | CHEMBL2036059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSDDXEWTQZXREV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.3
MW (Da)
6.54
ALogP
3
HBA
1
HBD
37.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.98 | 5.98 | 1039.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1039.0 | nM | 5.98 | Inhibition of recombinant Plasmodium falciparum NDH2 expressed in Escherichia co... | 22380711 |
| Plasmodium falciparum | IC50 | = | 2080.0 | nM | 5.68 | Antimalarial activity against blood stage form of Plasmodium falciparum 3D7 infe... | 22380711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22380711 | 10.1021/jm3001482 | Unchecked | 1 |
| 22380711 | 10.1021/jm3001482 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine