Compound Detail
CHEMBL314213
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Basic Information
| ChEMBL ID | CHEMBL314213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZQUYNBBTURBHB-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.32
ALogP
5
HBA
2
HBD
87.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL5450 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL5450 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | EC50 | = | 2.0 | nM | 8.7 | Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1D r... | 8057297 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 10.0 | nM | 8.0 | Binding affinity was measured against serotonin 5-hydroxytryptamine 1D receptor | 8057297 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 73.0 | nM | 7.14 | Binding affinity was measured against serotonin 5-hydroxytryptamine 1A receptor | 8057297 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 170.0 | nM | 6.77 | Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1A r... | 8057297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057297 | 10.1021/jm00042a003 | 5-hydroxytryptamine receptor 1A | 2 |
| 8057297 | 10.1021/jm00042a003 | 5-hydroxytryptamine receptor 1D | 2 |
| 8057297 | 10.1021/jm00042a003 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine