Compound Detail
CHEMBL403260
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CCN(CCCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCCCCN(CC)Cc3ccccc3OC)cc2)cc1)Cc1ccccc1OC
Basic Information
| ChEMBL ID | CHEMBL403260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQFITZQWLBZWPL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
707.0
MW (Da)
9.41
ALogP
6
HBA
2
HBD
83.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.44 | 7.44 | 36.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 36.3 | nM | 7.44 | Inhibition of human AchE | 18181565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18181565 | 10.1021/jm7009364 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine