Compound Detail
CHEMBL54629
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Basic Information
| ChEMBL ID | CHEMBL54629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGFAIPFMYPMZJM-BMNJFWBPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
3.09
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1300.0 | nM | 5.89 | In vitro antimalarial activity against Plasmodium falciparum D2 | 15027875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027875 | 10.1021/jm0305319 | Homo sapiens | 1 |
| 15027875 | 10.1021/jm0305319 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine