Compound Detail
CHEMBL158592
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Basic Information
| ChEMBL ID | CHEMBL158592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJRJELSAFPXXEI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.10
ALogP
6
HBA
1
HBD
69.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 6.83 | 6.83 | 148.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.84 | 5.84 | 1459.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 148.0 | nM | 6.83 | Binding affinity to the rat 5-hydroxytryptamine 7 receptor | 12570387 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1459.0 | nM | 5.84 | Binding affinity to the rat 5-hydroxytryptamine 1A receptor | 12570387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570387 | 10.1021/jm020994z | 5-hydroxytryptamine receptor 7 | 1 |
| 12570387 | 10.1021/jm020994z | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine