Compound Detail
CHEMBL104946
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Basic Information
| ChEMBL ID | CHEMBL104946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSXYJBWPQGSQLD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
2.38
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | Ki | = | 35.0 | nM | 7.46 | In vitro binding affinity was determined by radioligand binding assay using cell... | 12825944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1F | 1 |
Data from ChEMBL 36 via Core Engine