Compound Detail
CHEMBL26952
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Basic Information
| ChEMBL ID | CHEMBL26952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJIVMDLRFJXHEY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.10
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.96 | 6.48 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 11.0 | nM | 7.96 | Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat stri... | 2754715 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 10000.0 | nM | 5.0 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2754715 | 10.1021/jm00128a039 | 5-hydroxytryptamine receptor 1A | 2 |
| 3172131 | 10.1021/jm00118a018 | 5-hydroxytryptamine receptor 1A | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
| 24900840 | 10.1021/ml4004843 | 5-hydroxytryptamine receptor 1A | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine