Compound Detail
CHEMBL2401755
14-O-ISOPROPYL-GUTTIFERONE A Enter ChEMBL ID:
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CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(OC(C)C)c(O)c1)=C2O
Basic Information
| ChEMBL ID | CHEMBL2401755 |
| Name | 14-O-ISOPROPYL-GUTTIFERONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHZFRJZSUBQMBG-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)
0.10
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.74 | 4.74 | 18030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 18030.0 | nM | 4.74 | 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