Compound Detail
CHEMBL431866
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Basic Information
| ChEMBL ID | CHEMBL431866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCSYDBRBZWDFCJ-HSZRJFAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.13
ALogP
3
HBA
2
HBD
60.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 0.42 | nM | 9.38 | Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor | 14505640 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 4.2 | nM | 8.38 | Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor | 14505640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505640 | 10.1016/s0960-894x(03)00779-0 | 5-hydroxytryptamine receptor 1B | 2 |
| 14505640 | 10.1016/s0960-894x(03)00779-0 | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine