Compound Detail
CHEMBL4533865
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Basic Information
| ChEMBL ID | CHEMBL4533865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWPRHAHYQCZEQP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.14
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.45 | 8.45 | 3.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.89 | 6.89 | 128.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 3.54 | nM | 8.45 | Antagonist activity at 5-HT7 receptor (unknown origin) | 31581003 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 128.0 | nM | 6.89 | Antagonist activity at 5-HT1A receptor (unknown origin) | 31581003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 7 | 1 |
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine