Compound Detail
CHEMBL178050
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
Basic Information
| ChEMBL ID | CHEMBL178050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTNOULQZDCKIIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
537.8
MW (Da)
9.48
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrylcholinesterase CHEMBL5077 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Acetylcholinesterase CHEMBL4768 | Ki | 6.71 | 6.71 | 195.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Butyrylcholinesterase | Ki | = | 2.3 | nM | 8.64 | Dissociation constant for inhibition of equine Butyrylcholinesterase (BuChE) | 15771436 |
| Acetylcholinesterase | Ki | = | 195.0 | nM | 6.71 | Dissociation constant for inhibition of fetal bovine serum Acetylcholinesterase | 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