Compound Detail
CHEMBL4746584
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Basic Information
| ChEMBL ID | CHEMBL4746584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XONKXHNAFAWJKO-WLHGVMLRSA-N |
| Parent Compound | CHEMBL4788250 |
| Active Moiety | CHEMBL4788250 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.34
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Ki 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 4.3 | nM | 8.37 | Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membr... | 33310288 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 1995.26 | nM | 5.7 | Antagonist activity at human 5HT6 receptor expressed in COS-7 cells assessed as ... | 33310288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33310288 | 10.1016/j.ejmech.2020.113059 | 5-hydroxytryptamine receptor 6 | 5 |
| 33310288 | 10.1016/j.ejmech.2020.113059 | Acetylcholinesterase | 2 |
| 33310288 | 10.1016/j.ejmech.2020.113059 | Cholinesterase | 2 |
| 33310288 | 10.1016/j.ejmech.2020.113059 | Mus musculus | 2 |
| 33310288 | 10.1016/j.ejmech.2020.113059 | ADMET | 1 |
| 33310288 | 10.1016/j.ejmech.2020.113059 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine