Compound Detail
CHEMBL2283258
N-DODECYLCINNAMAMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2283258 |
| Name | N-DODECYLCINNAMAMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPKCYQSDPRKOHT-ISLYRVAYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
5.74
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.95 | 4.91 | 11130.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.42 | 4.42 | 38460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 11130.0 | nM | 4.95 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 31376564 |
| MCF7 | IC50 | = | 13400.0 | nM | 4.87 | Antiproliferative activity against Homo sapiens (human) MCF-7 cells overexpressi... | - |
| Epidermal growth factor receptor | IC50 | = | 38460.0 | nM | 4.42 | Inhibition of autophosphorylation of His6-tagged EGFR cytoplasmic domain (unknow... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.25.263 | Brassica rapa subsp. chinensis | 2 |
| - | 10.1007/s00044-012-0093-z | Epidermal growth factor receptor | 1 |
| - | 10.1007/s00044-012-0093-z | MCF7 | 1 |
| - | 10.1584/jpestics.25.263 | Athelia rolfsii | 1 |
| - | 10.1584/jpestics.25.263 | Pythium | 1 |
| 31376564 | 10.1016/j.ejmech.2019.07.064 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine