Compound Detail
CHEMBL132110
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CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL132110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSYZGMFZNVGFEI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
556.7
MW (Da)
7.42
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 5.17 | 5.17 | 6810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 68.0 | nM | 7.17 | Inhibition of rat acetylcholinesterase (AChE) | 9767635 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 6810.0 | nM | 5.17 | 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 |
Data from ChEMBL 36 via Core Engine