Compound Detail
CHEMBL6040839
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Basic Information
| ChEMBL ID | CHEMBL6040839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HISLDJKGFNEVLO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.4
MW (Da)
5.14
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Ki 1 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 7.74 | 7.74 | 18.1 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.52 | 6.52 | 304.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 18.1 | nM | 7.74 | Competition Assay: Prior to these competition studies, a series of saturation cu... | - |
| Acetylcholinesterase | IC50 | = | 304.0 | nM | 6.52 | Inhibition Assay: Acetylcholinesterase extracted from human erythrocytes (buffer... | - |
Data from ChEMBL 36 via Core Engine