Compound Detail
CHEMBL26835
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Basic Information
| ChEMBL ID | CHEMBL26835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAAKORCQGYIBPE-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
3.45
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.77
IC50 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.77 | 8.695 | 1.7 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.698 | nM | 8.77 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.4 | nM | 8.62 | Binding affinity of 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radi... | 7506312 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 5.4 | nM | 8.27 | Binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-O... | 2137880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7506312 | 10.1021/jm00078a012 | 5-hydroxytryptamine receptor 1A | 2 |
| 2137880 | 10.1021/jm00165a011 | 5-hydroxytryptamine receptor 1A | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
| 7506312 | 10.1021/jm00078a012 | Rattus norvegicus | 1 |
| 7506312 | 10.1021/jm00078a012 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine