Compound Detail
CHEMBL102250
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Basic Information
| ChEMBL ID | CHEMBL102250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUNPANXQBOTFPV-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.22
ALogP
4
HBA
2
HBD
74.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.34
EC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.08 | 6.08 | 840.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.03 | 6.03 | 930.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | Ki | = | 4.6 | nM | 8.34 | In vitro binding affinity was determined by radioligand binding assay using cell... | 12825944 |
| 5-hydroxytryptamine receptor 1F | EC50 | = | 11.0 | nM | 7.96 | In vitro effective concentration for stimulation of [35S]GTP-gamma-S, binding in... | 12825944 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 840.0 | nM | 6.08 | In vitro binding affinity by radioligand binding assay using cell line expressin... | 12825944 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 930.0 | nM | 6.03 | In vitro binding affinity by radioligand binding assay using cell line expressin... | 12825944 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 1100.0 | nM | 5.96 | 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 | 3 |
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1A | 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