Compound Detail
CHEMBL2030328
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Basic Information
| ChEMBL ID | CHEMBL2030328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZFXCORERXYATG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.83
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.55 | 6.55 | 279.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.23 | 5.6 | 588.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 279.0 | nM | 6.55 | Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 inf... | 22364417 |
| Unchecked | IC50 | = | 588.0 | nM | 6.23 | Inhibition of Plasmodium falciparum recombinant NDH2 expressed in Escherichia co... | 22364417 |
| Unchecked | IC50 | = | 10600.0 | nM | 4.97 | Mtb cytochrome bd inhibition assay: The Mtb cytochrome bd inhibition assay descr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364417 | 10.1021/jm201184h | Plasmodium falciparum | 1 |
| 22364417 | 10.1021/jm201184h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine