Compound Detail
CHEMBL165718
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Basic Information
| ChEMBL ID | CHEMBL165718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAOMAOPHBDZGKV-QNSVNVJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
2.89
ALogP
5
HBA
0
HBD
66.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.89 | nM | 9.05 | Binding affinity against 5-hydroxytryptamine 1A receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00074-7 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine