Compound Detail
CHEMBL157840
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Basic Information
| ChEMBL ID | CHEMBL157840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLJLFJSNEJZSQQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.11
ALogP
7
HBA
1
HBD
79.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.41 | 6.41 | 389.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 6.33 | 6.33 | 462.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 389.0 | nM | 6.41 | Binding affinity to the rat 5-hydroxytryptamine 1A receptor | 12570387 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 462.0 | nM | 6.33 | Binding affinity to the rat 5-hydroxytryptamine 7 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