Compound Detail
CHEMBL557703
SOPHONOROL C Enter ChEMBL ID:
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COc1c([C@]2(O)COc3c4c(cc(O)c3C2=O)OC(C)(C)CC4)ccc2c1CCC(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL557703 |
| Name | SOPHONOROL C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTNVBSWKRFKHFA-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.07
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 12900.0 | nM | 4.89 | 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 |
Data from ChEMBL 36 via Core Engine