Compound Detail
CHEMBL392756
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OC[C@H]1O[C@@H](n2cnc3/c(=N\OCc4ccccc4)[nH]cnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL392756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRWOZNWCGLAHSD-LSCFUAHRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
-0.60
ALogP
9
HBA
4
HBD
138.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.88 | 4.865 | 13150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 13150.0 | nM | 4.88 | Antimalarial activity against drug-sensitive Plasmodium falciparum 3D7 after 24 ... | 17548196 |
| Plasmodium falciparum | IC50 | = | 14200.0 | nM | 4.85 | Antimalarial activity against chloroquine, pyrimethamine and cycloguanil-resista... | 17548196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17548196 | 10.1016/j.bmc.2007.05.038 | Plasmodium falciparum | 2 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | Unchecked | 2 |
| 2999397 | 10.1021/jm00149a016 | Alpha-1A adrenergic receptor | 1 |
| 2999397 | 10.1021/jm00149a016 | ADMET | 1 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | KB | 1 |
Data from ChEMBL 36 via Core Engine