Compound Detail
CHEMBL51350
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Clc1cc(Cl)c2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
Basic Information
| ChEMBL ID | CHEMBL51350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXYXCYQIHJLUHU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
561.6
MW (Da)
9.32
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | Ki | 8.22 | 8.22 | 6.0 | 2 |
| Butyrylcholinesterase CHEMBL5077 | Ki | 6.75 | 6.75 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 6.0 | nM | 8.22 | Inhibition of fetal Bovine serum AChE | 12502352 |
| Acetylcholinesterase | Ki | = | 6.0 | nM | 8.22 | Inhibition of acetylcholinesterase (AChE) of fetal bovine serum (FBS) | 11425559 |
| Butyrylcholinesterase | Ki | = | 180.0 | nM | 6.75 | Inhibition of Equine Butyrylcholinesterase | 12502352 |
| Butyrylcholinesterase | Ki | = | 180.0 | nM | 6.75 | Inhibition of equine (Eq) Butyrylcholinesterase | 11425559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502352 | 10.1021/jm0255668 | Acetylcholinesterase | 1 |
| 12502352 | 10.1021/jm0255668 | Butyrylcholinesterase | 1 |
| 11425559 | 10.1016/s0960-894x(01)00294-3 | Acetylcholinesterase | 1 |
| 11425559 | 10.1016/s0960-894x(01)00294-3 | Butyrylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine