Compound Detail
CHEMBL6054495
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Basic Information
| ChEMBL ID | CHEMBL6054495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OINBXQVAEUFUNQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.4
MW (Da)
3.90
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Ki 1 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 7.86 | 7.86 | 13.9 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.29 | 5.29 | 5090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 13.9 | nM | 7.86 | Competition Assay: Prior to these competition studies, a series of saturation cu... | - |
| Acetylcholinesterase | IC50 | = | 5090.0 | nM | 5.29 | Inhibition Assay: Acetylcholinesterase extracted from human erythrocytes (buffer... | - |
Data from ChEMBL 36 via Core Engine