Compound Detail
CHEMBL230962
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Basic Information
| ChEMBL ID | CHEMBL230962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNYMLCUABTXSIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.9
MW (Da)
3.31
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.18 | 7.18 | 66.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 66.07 | nM | 7.18 | Binding affinity to 5HT1A receptor in rat cortex membrane | 17803293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17803293 | 10.1021/jm070714l | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine