Compound Detail
CHEMBL237223
N-BENZYLANILINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL237223 |
| Name | N-BENZYLANILINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTWJETSWSUWSEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
3.30
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.89 | 4.89 | 13010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 13010.0 | nM | 4.89 | Inhibition of Electrophorus electricus (electric eel) AChE using acetylthiocholi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0493-8 | Acetylcholinesterase | 2 |
| 17958344 | 10.1021/jm070679i | C-X-C chemokine receptor type 4 | 1 |
| - | 10.1007/s00044-013-0493-8 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine