Compound Detail
CHEMBL2403392
14-O-METHYL-GUTTIFERONE A Enter ChEMBL ID:
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COc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1O
Basic Information
| ChEMBL ID | CHEMBL2403392 |
| Name | 14-O-METHYL-GUTTIFERONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVLDDQSULGRRIE-YJLUZQOUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
616.8
MW (Da)
9.36
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.35 | 5.35 | 4460.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 1420.0 | nM | 5.85 | Antitrypanosomal activity against bloodstream stage of Trypanosoma brucei brucei... | 23727538 |
| Plasmodium falciparum | IC50 | = | 4460.0 | nM | 5.35 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FcB1... | 23727538 |
| Leishmania donovani | IC50 | = | 9400.0 | nM | 5.03 | Leishmanicidal activity against promastigote stage of Leishmania donovani LV9 as... | 23727538 |
| Vero | IC50 | = | 11500.0 | nM | 4.94 | Cytotoxicity against african green monkey Vero cells assessed as growth inhibiti... | 23727538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23727538 | 10.1016/j.ejmech.2013.04.066 | Plasmodium falciparum | 4 |
| 23727538 | 10.1016/j.ejmech.2013.04.066 | Trypanosoma brucei brucei | 4 |
| 23727538 | 10.1016/j.ejmech.2013.04.066 | NON-PROTEIN TARGET | 3 |
| 23727538 | 10.1016/j.ejmech.2013.04.066 | Vero | 1 |
| 23727538 | 10.1016/j.ejmech.2013.04.066 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine