Compound Detail
CHEMBL52476
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Basic Information
| ChEMBL ID | CHEMBL52476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCVRAHHTMNSHSE-JTQLQIEISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
2.45
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Candida tropicalis CHEMBL612870 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Pichia kudriavzevii CHEMBL612841 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3200.0 | nM | 5.5 | In vitro antimalarial activity against Plasmodium falciparum D2 | 15027875 |
| Candida albicans | IC50 | = | 9500.0 | nM | 5.02 | Inhibitory activity against Candida albicans | 16297620 |
| Candida tropicalis | IC50 | = | 40000.0 | nM | 4.4 | Inhibitory activity against Candida tropicalis | 16297620 |
| Pichia kudriavzevii | IC50 | = | 75000.0 | nM | 4.12 | Inhibitory activity against Candida krusei | 16297620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027875 | 10.1021/jm0305319 | Homo sapiens | 1 |
| 15027875 | 10.1021/jm0305319 | Plasmodium falciparum | 1 |
| 16297620 | 10.1016/j.bmcl.2005.10.101 | Candida albicans | 1 |
| 16297620 | 10.1016/j.bmcl.2005.10.101 | Candida tropicalis | 1 |
| 16297620 | 10.1016/j.bmcl.2005.10.101 | Pichia kudriavzevii | 1 |
Data from ChEMBL 36 via Core Engine