Compound Detail
CHEMBL2271145
4-(ACETATE)ACETOPHENONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2271145 |
| Name | 4-(ACETATE)ACETOPHENONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMIOEQSLJNNKQF-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
1.81
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactuca sativa CHEMBL613874 | IC50 | 4.41 | 4.41 | 38900.0 | 2 |
| Lolium multiflorum CHEMBL2367274 | IC50 | 4.12 | 4.115 | 75500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactuca sativa | IC50 | = | 38900.0 | nM | 4.41 | Phytotoxicity against Lactuca sativa (lettuce) assessed as inhibition of root de... | 11929285 |
| Lactuca sativa | IC50 | = | 39100.0 | nM | 4.41 | Phytotoxicity against Lactuca sativa (lettuce) assessed as inhibition of shoot d... | 11929285 |
| Lolium multiflorum | IC50 | = | 75500.0 | nM | 4.12 | Phytotoxicity against Lolium multiflorum (Italian ryegrass) assessed as inhibiti... | 11929285 |
| Lolium multiflorum | IC50 | = | 77300.0 | nM | 4.11 | Phytotoxicity against Lolium multiflorum (Italian ryegrass) assessed as inhibiti... | 11929285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11929285 | 10.1021/jf011108g | Lolium multiflorum | 8 |
| 11929285 | 10.1021/jf011108g | Lactuca sativa | 7 |
| 11929285 | 10.1021/jf011108g | Trifolium pratense | 6 |
| 11929285 | 10.1021/jf011108g | Physalis ixocarpa | 5 |
| 11929285 | 10.1021/jf011108g | Radical scavenging activity | 1 |
| 11929285 | 10.1021/jf011108g | Spinacia oleracea | 1 |
Data from ChEMBL 36 via Core Engine