Compound Detail
CHEMBL2403397
14-O-PROPYL-GUTTIFERONE A Enter ChEMBL ID:
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CCCOc1ccc(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 | CHEMBL2403397 |
| Name | 14-O-PROPYL-GUTTIFERONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDBIGUFOXBLSLG-PPTSMVLFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
644.9
MW (Da)
10.14
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.68 | 4.68 | 20730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 20730.0 | nM | 4.68 | Leishmanicidal activity against promastigote stage of Leishmania donovani LV9 as... | 23727538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23727538 | 10.1016/j.ejmech.2013.04.066 | Plasmodium falciparum | 3 |
| 23727538 | 10.1016/j.ejmech.2013.04.066 | Trypanosoma brucei brucei | 3 |
| 23727538 | 10.1016/j.ejmech.2013.04.066 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine