Compound Detail
CHEMBL75771
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Basic Information
| ChEMBL ID | CHEMBL75771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXAAYRLBFVQNCW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
3.84
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 6309.57 | nM | 5.2 | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus usin... | 8057272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057272 | 10.1021/jm00041a001 | Canis familiaris | 1 |
| 8057272 | 10.1021/jm00041a001 | Oryctolagus cuniculus | 1 |
| 8057272 | 10.1021/jm00041a001 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine