Compound Detail
CHEMBL27252
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Basic Information
| ChEMBL ID | CHEMBL27252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XERBMRSFPATHMY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.17
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.25 | 8.25 | 5.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.6 | nM | 8.25 | Binding affinity at [3H]8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites ... | 2521252 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.623 | nM | 8.25 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.6 | nM | 8.25 | Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes | 28244748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2521252 | 10.1021/jm00121a045 | 5-hydroxytryptamine receptor 1A | 2 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine