Compound Detail
CHEMBL135335
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Basic Information
| ChEMBL ID | CHEMBL135335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXPZOXUTTRNCSF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
2.01
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 4.09 | 4.09 | 81400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 81400.0 | nM | 4.09 | Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes... | 8863806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863806 | 10.1021/jm950861w | 5-hydroxytryptamine receptor 1A | 1 |
| 8863806 | 10.1021/jm950861w | 5-hydroxytryptamine receptor 1B | 1 |
| 8863806 | 10.1021/jm950861w | Unchecked | 1 |
| 8863806 | 10.1021/jm950861w | Serotonin 3 receptor (5HT3) | 1 |
Data from ChEMBL 36 via Core Engine