Compound Detail
CHEMBL108299
EUGENYL ACETATE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL108299 |
| Name | EUGENYL ACETATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCCDQYPEOIRVGX-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
206.2
MW (Da)
2.35
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.52
EC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 4.0 | 4.0 | 99110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of COX1 | 16038536 |
| Leishmania donovani | EC50 | = | 99110.0 | nM | 4.0 | Antileishmanial activity against Leishmania donovani MHOM/IN/AG/83 amastigotes i... | 28826085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12568544 | 10.1021/jf0208278 | Dermatophagoides farinae | 10 |
| 12568544 | 10.1021/jf0208278 | Dermatophagoides pteronyssinus | 5 |
| 25281268 | 10.1016/j.bmc.2014.08.020 | Leishmania infantum | 4 |
| 28826085 | 10.1016/j.ejmech.2017.08.030 | Peritoneal macrophage | 3 |
| 28826085 | 10.1016/j.ejmech.2017.08.030 | Leishmania donovani | 2 |
| 28826085 | 10.1016/j.ejmech.2017.08.030 | ADMET | 2 |
| 12951092 | 10.1016/s0960-894x(03)00710-8 | RBL-2H3 | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 25281268 | 10.1016/j.bmc.2014.08.020 | RAW264.7 | 1 |
| 28826085 | 10.1016/j.ejmech.2017.08.030 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine