Compound Detail
CHEMBL3417007
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Basic Information
| ChEMBL ID | CHEMBL3417007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXIXHLZEMHZTEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.0
MW (Da)
3.95
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 8.65 | 8.65 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 2.25 | nM | 8.65 | Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated... | 25793650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25793650 | 10.1021/acs.jmedchem.5b00115 | Acetylcholinesterase | 1 |
| 25793650 | 10.1021/acs.jmedchem.5b00115 | Cholinesterase | 1 |
| 25793650 | 10.1021/acs.jmedchem.5b00115 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine