Compound Detail
CHEMBL280586
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Basic Information
| ChEMBL ID | CHEMBL280586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQJAKCNEOWYUTG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
3.39
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.514 | nM | 8.82 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine