Compound Detail
CHEMBL2165520
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Basic Information
| ChEMBL ID | CHEMBL2165520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMESWUCYEXZYAH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.30
ALogP
4
HBA
1
HBD
65.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.8 | 8.8 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.6 | nM | 8.8 | Binding affinity to human 5-HT6 receptor | 23036955 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells | 28244748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23036955 | 10.1016/j.bmcl.2012.06.002 | 5-hydroxytryptamine receptor 6 | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine