Compound Detail
CHEMBL365136
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
CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)CC/C(=C\c2cc(OC)c(OC)c(OC)c2)C3=O)c1
Basic Information
| ChEMBL ID | CHEMBL365136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMNIEHIAIMPDIG-ZTKZIYFRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
630.8
MW (Da)
7.10
ALogP
8
HBA
1
HBD
95.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.31 | 5.31 | 4940.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 4.07 | 4.07 | 84400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4940.0 | nM | 5.31 | Inhibition of recombinant human AChE | 15974596 |
| Cholinesterase | IC50 | = | 84400.0 | nM | 4.07 | Inhibition of isolated human BuChE | 15974596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974596 | 10.1021/jm049515h | Acetylcholinesterase | 2 |
| 15974596 | 10.1021/jm049515h | Cholinesterase | 1 |
| 15974596 | 10.1021/jm049515h | Cholinesterases; ACHE & BCHE | 1 |
| 15974596 | 10.1021/jm049515h | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine