Compound Detail
CHEMBL105556
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Basic Information
| ChEMBL ID | CHEMBL105556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCVHMFKWHHDTMW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
1.71
ALogP
5
HBA
1
HBD
75.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | Ki | = | 4.7 | nM | 8.33 | In vitro binding affinity was determined by radioligand binding assay using cell... | 12825944 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 8.0 | nM | 8.1 | In vitro binding affinity by radioligand binding assay using cell line expressin... | 12825944 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 25.0 | nM | 7.6 | In vitro binding affinity by radioligand binding assay using cell line expressin... | 12825944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1F | 1 |
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1B | 1 |
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine