Compound Detail
CHEMBL3104735
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Cc1cc(O)cc2c1C(=O)c1cc(-c3c(C)cc4c(c3O)C(=O)c3c(O)cccc3C4=O)cc(O)c1C2=O
Basic Information
| ChEMBL ID | CHEMBL3104735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRRZSYXEHVZHQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
4.34
ALogP
8
HBA
4
HBD
149.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... | 24326280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24326280 | 10.1016/j.bmc.2013.11.032 | Plasmodium falciparum | 1 |
| 24326280 | 10.1016/j.bmc.2013.11.032 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine