Compound Detail
CHEMBL2270962
ETHYLEUGENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2270962 |
| Name | ETHYLEUGENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTMFQLIUPDESAI-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
192.3
MW (Da)
2.82
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.04
IC50 2 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.14 | 4.14 | 71670.0 | 1 |
| Peritoneal macrophage CHEMBL5314330 | EC50 | 4.04 | 4.04 | 90500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 71670.0 | nM | 4.14 | Antileishmanial activity against Leishmania donovani MHOM/IN/AG/83 promastigotes... | 28826085 |
| Peritoneal macrophage | EC50 | = | 90500.0 | nM | 4.04 | Cytotoxicity against BALB/c mouse peritoneal macrophages after 48 hrs by MTT ass... | 28826085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20225858 | 10.1021/jf9045123 | Trichoplusia ni | 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 |
| 28826085 | 10.1016/j.ejmech.2017.08.030 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine