Compound Detail
CHEMBL175487
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Basic Information
| ChEMBL ID | CHEMBL175487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOGQLQNSBYGTMC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
533.7
MW (Da)
6.41
ALogP
6
HBA
3
HBD
73.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | Ki | 9.19 | 9.19 | 0.7 | 1 |
| Butyrylcholinesterase CHEMBL5077 | Ki | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 0.65 | nM | 9.19 | Dissociation constant for inhibition of fetal bovine serum Acetylcholinesterase | 15771436 |
| Butyrylcholinesterase | Ki | = | 3.3 | nM | 8.48 | Dissociation constant for inhibition of equine Butyrylcholinesterase (BuChE) | 15771436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771436 | 10.1021/jm049510k | Acetylcholinesterase | 1 |
| 15771436 | 10.1021/jm049510k | Butyrylcholinesterase | 1 |
| 15771436 | 10.1021/jm049510k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine