Compound Detail
CHEMBL14161
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Basic Information
| ChEMBL ID | CHEMBL14161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPACWPMACBPAAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.53
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.0 | nM | 8.3 | Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippo... | 8676348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676348 | 10.1021/jm950662c | Rattus norvegicus | 20 |
| 8676348 | 10.1021/jm950662c | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine