Compound Detail
CHEMBL128043
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 | CHEMBL128043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRALBZBQZUJSPR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
6.25
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.1 | 5.68 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 31.0 | nM | 7.51 | Inhibition of rat acetylcholinesterase (AChE) | 9767635 |
| Acetylcholinesterase | IC50 | = | 31.0 | nM | 7.51 | Inhibition of AChE | 20053484 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-ananda... | 24900454 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 5540.0 | nM | 5.26 | Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-ananda... | 24900454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900454 | 10.1021/ml200313p | Fatty-acid amide hydrolase 1 | 2 |
| 9767635 | 10.1021/jm9810046 | Acetylcholinesterase | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine