Compound Detail
CHEMBL54554
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Basic Information
| ChEMBL ID | CHEMBL54554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOVVAVUDVXZHEI-IYBDPMFKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.99
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6000.0 | nM | 5.22 | In vitro antimalarial activity against Plasmodium falciparum D2 | 15027875 |
| Candida albicans | IC50 | = | 31000.0 | nM | 4.51 | Growth inhibition of Candida albicans JRW#5 | 17079152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17079152 | 10.1016/j.bmc.2006.10.021 | CHO | 2 |
| 15027875 | 10.1021/jm0305319 | Homo sapiens | 1 |
| 15027875 | 10.1021/jm0305319 | Plasmodium falciparum | 1 |
| 17079152 | 10.1016/j.bmc.2006.10.021 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine