Compound Detail
CHEMBL558301
SOPHONOROL F Enter ChEMBL ID:
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COc1cc(O)c2c(c1CC=C(C)C)OC[C@@](O)(c1ccc(O)c(CC=C(C)C)c1OC)C2=O
Basic Information
| ChEMBL ID | CHEMBL558301 |
| Name | SOPHONOROL F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXAXZPWQRPXPGL-HHHXNRCGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.60
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 41000.0 | nM | 4.39 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 | 19572738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19572738 | 10.1021/np900144c | Plasmodium falciparum | 1 |
| 19572738 | 10.1021/np900144c | CHO | 1 |
| 19572738 | 10.1021/np900144c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine