Compound Detail
CHEMBL460235
POLYSYPHORIN Enter ChEMBL ID:
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C/C=C/c1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL460235 |
| Name | POLYSYPHORIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLBWVIKFCMUTDS-IPHDZNCISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.26
ALogP
7
HBA
1
HBD
75.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.57 | 5.57 | 2720.0 | 1 |
| Plasmodium yoelii CHEMBL612889 | IC50 | 5.02 | 5.02 | 9540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2720.0 | nM | 5.57 | Antimalarial activity against liver stages of Plasmodium falciparum NF54 infecte... | 22122518 |
| Plasmodium yoelii | IC50 | = | 9540.0 | nM | 5.02 | Antimalarial activity against liver stages of Plasmodium yoelii 265 BY infected ... | 22122518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11421741 | 10.1021/np010037c | Unchecked | 2 |
| 11421741 | 10.1021/np010037c | Plasmodium falciparum | 2 |
| 11421741 | 10.1021/np010037c | KB | 1 |
| 22122518 | 10.1021/jm201095h | Plasmodium falciparum | 1 |
| 22122518 | 10.1021/jm201095h | Plasmodium yoelii | 1 |
Data from ChEMBL 36 via Core Engine