Compound Detail
CHEMBL1795897
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O=C1/C(=C/c2ccc(Br)cc2)CN2CC13[C@@H](c1ccc(Br)cc1)C1CCCN1C31C(=O)c3ccccc3C21O
Basic Information
| ChEMBL ID | CHEMBL1795897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPCFJUBZABHEDB-XAFRWVHHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
646.4
MW (Da)
5.52
ALogP
5
HBA
1
HBD
60.9
PSA (Ų)
0.37
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.03 | 5.03 | 9260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 9260.0 | nM | 5.03 | Inhibition of electric eel AChE by modified Ellman method | 21621414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21621414 | 10.1016/j.bmcl.2011.05.003 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine