Compound Detail
CHEMBL463023
VOLKENSIFLAVONE Enter ChEMBL ID:
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O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
Basic Information
| ChEMBL ID | CHEMBL463023 |
| Name | VOLKENSIFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOGANETYFUQWIM-PXJZQJOASA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
540.5
MW (Da)
4.79
ALogP
10
HBA
6
HBD
177.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 37000.0 | nM | 4.43 | Antitrypanosomal activity against Trypanosoma brucei brucei | 16562837 |
| MRC5 | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against human MRC5 cells by alamar-blue assay | 16562837 |
| Plasmodium falciparum | IC50 | = | 48000.0 | nM | 4.32 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum Ghan... | 16562837 |
| Trypanosoma cruzi | IC50 | = | 56000.0 | nM | 4.25 | Antitrypanosomal activity against Trypanosoma cruzi in mouse peritoneal macropha... | 16562837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10654415 | 10.1021/np990065j | Raji | 4 |
| 10654415 | 10.1021/np990065j | NON-PROTEIN TARGET | 3 |
| 9322359 | 10.1021/np9700275 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 15787435 | 10.1021/np0497595 | Radical scavenging activity | 1 |
| 15787435 | 10.1021/np0497595 | SW480 | 1 |
| 16562837 | 10.1021/np050406v | Trypanosoma brucei brucei | 1 |
| 16562837 | 10.1021/np050406v | Trypanosoma cruzi | 1 |
| 16562837 | 10.1021/np050406v | Leishmania infantum | 1 |
| 16562837 | 10.1021/np050406v | Plasmodium falciparum | 1 |
| 16562837 | 10.1021/np050406v | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine